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

C123H181N13O2 — CID 158989933

IUPACN,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
SMILESCC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(N2CCC(N(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2.C15H22N2O.C15H23N.C14H22N2.C14H21N.C14H15N.C13H20N2.C13H19NO.C9H13N/c1-13(2)14-5-7-16(8-6-14)18-11-9-15(10-12-18)17(3)4;1-12(2)14-4-6-15(7-5-14)17-10-8-16(9-11-17)13(3)18;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;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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;1-7(2)8-3-5-9(10)6-4-8/h5-8,13,15H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,11,14-15H,7-10H2,1-2H3;3-11H,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-7H,10H2,1-2H3
InChIKeyJQAMZQWXAKSAJX-UHFFFAOYSA-N
MW1873.89 g/mol
LogP26.41
Rot. Bonds18

About 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

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 (PubChem CID 158989933) has the molecular formula C123H181N13O2 and a molecular weight of 1873.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID158989933
Molecular FormulaC123H181N13O2
Molecular Weight1873.89 g/mol
Exact Mass1872.45
IUPAC NameN,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
SMILESCC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(N2CCC(N(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2.C15H22N2O.C15H23N.C14H22N2.C14H21N.C14H15N.C13H20N2.C13H19NO.C9H13N/c1-13(2)14-5-7-16(8-6-14)18-11-9-15(10-12-18)17(3)4;1-12(2)14-4-6-15(7-5-14)17-10-8-16(9-11-17)13(3)18;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;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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;1-7(2)8-3-5-9(10)6-4-8/h5-8,13,15H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,11,14-15H,7-10H2,1-2H3;3-11H,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-7H,10H2,1-2H3
InChIKeyJQAMZQWXAKSAJX-UHFFFAOYSA-N
XLogP26.41
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001873.89
LogP ≤ 526.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-(4-pyridin-4-ylpiperidin-1-yl)aniline
CID 11021416
[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 66712036
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
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide
CID 88903970
1-[4-[[1-(4-aminophenyl)pyrrolidin-3-yl]-methylamino]piperidin-1-yl]ethanone
CID 142931755

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(N2CCC(N(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 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?
The InChIKey is JQAMZQWXAKSAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C15H22N2O.C15H23N.C14H22N2.C14H21N.C14H15N.C13H20N2.C13H19NO.C9H13N/c1-13(2)14-5-7-16(8-6-14)18-11-9-15(10-12-18)17(3)4;1-12(2)14-4-6-15(7-5-14)17-10-8-16(9-11-17)13(3)18;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;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;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;1-7(2)8-3-5-9(10)6-4-8/h5-8,13,15H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,11,14-15H,7-10H2,1-2H3;3-11H,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-7H,10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1873.89 g/mol, XLogP of 26.41, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158989933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).