1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine

C143H220N14O5 — CID 159280853

IUPAC1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine
SMILESCC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(CCCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(N2CCOCC2)c1.CCN1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H26N2.C16H25NO.C15H24N2.C15H23N.C14H22N2.2C14H21NO.C13H20N2.2C13H19NO/c1-4-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14(2)3;1-14(2)16-7-5-15(6-8-16)4-3-9-17-10-12-18-13-11-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14/h5-8,14H,4,9-13H2,1-3H3;5-8,14H,3-4,9-13H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,11,14,16H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3
InChIKeyKYWZBRYNPOAERY-UHFFFAOYSA-N
MW2215.43 g/mol
LogP27.69
Rot. Bonds27

About 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine

1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine (PubChem CID 159280853) has the molecular formula C143H220N14O5 and a molecular weight of 2215.43 g/mol. Its IUPAC name is 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine.

Molecular Properties

Compound Name1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine
PubChem CID159280853
Molecular FormulaC143H220N14O5
Molecular Weight2215.43 g/mol
Exact Mass2213.74
IUPAC Name1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine
SMILESCC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(CCCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(N2CCOCC2)c1.CCN1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H26N2.C16H25NO.C15H24N2.C15H23N.C14H22N2.2C14H21NO.C13H20N2.2C13H19NO/c1-4-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14(2)3;1-14(2)16-7-5-15(6-8-16)4-3-9-17-10-12-18-13-11-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14/h5-8,14H,4,9-13H2,1-3H3;5-8,14H,3-4,9-13H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,11,14,16H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3
InChIKeyKYWZBRYNPOAERY-UHFFFAOYSA-N
XLogP27.69
TPSA111.30 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002215.43
LogP ≤ 527.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497
N,N-dimethyl-1-(4-propan-2-ylphenyl)piperidin-4-amine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-propan-2-ylaniline;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)pyridine
CID 158989933
bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine
CID 167649681
1-[[4-(oxan-4-yl)phenyl]methyl]piperazine
CID 117405519
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
CID 70730770
4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride
CID 71653729
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine?
The IUPAC name of 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine (CID 159280853) is 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine.
What is the SMILES notation for 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine?
The canonical SMILES for 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine is CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(CCCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1cccc(N2CCOCC2)c1.CCN1CCN(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine?
The InChIKey is KYWZBRYNPOAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C16H25NO.C15H24N2.C15H23N.C14H22N2.2C14H21NO.C13H20N2.2C13H19NO/c1-4-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14(2)3;1-14(2)16-7-5-15(6-8-16)4-3-9-17-10-12-18-13-11-17;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14/h5-8,14H,4,9-13H2,1-3H3;5-8,14H,3-4,9-13H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,11,14,16H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine?
1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine has a molecular weight of 2215.43 g/mol, XLogP of 27.69, 27 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;4-[3-(4-propan-2-ylphenyl)propyl]morpholine is sourced from PubChem (CID 159280853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).