1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol

C18H28N2O2 — CID 84750679

IUPAC1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
SMILESC=CCNCc1ccc(N2CCC(O)CC2)c(OC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-4-9-19-13-15-5-6-17(18(12-15)22-14(2)3)20-10-7-16(21)8-11-20/h4-6,12,14,16,19,21H,1,7-11,13H2,2-3H3
InChIKeyMMPXJQVMZMIIPU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds7

About 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol

1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 84750679) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
PubChem CID84750679
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
SMILESC=CCNCc1ccc(N2CCC(O)CC2)c(OC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-4-9-19-13-15-5-6-17(18(12-15)22-14(2)3)20-10-7-16(21)8-11-20/h4-6,12,14,16,19,21H,1,7-11,13H2,2-3H3
InChIKeyMMPXJQVMZMIIPU-UHFFFAOYSA-N
XLogP2.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(azepan-1-yl)-3-propan-2-yloxyphenyl]methyl]prop-2-en-1-amine
CID 84750022
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 84754741
1-[4-[[2-(dimethylamino)ethylamino]methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84747778
1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
CID 84749929
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84754739
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 84750548
2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid
CID 84749928
3-[[4-(4-hydroxypiperidin-1-yl)-3-methoxyphenyl]methylamino]propanoic acid
CID 84754745
N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 84750601
N-[[4-(1,4-diazepan-1-yl)-3-propan-2-yloxyphenyl]methyl]cyclopropanamine
CID 84750655

Frequently Asked Questions

What is the IUPAC name of 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol (CID 84750679) is 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol is C=CCNCc1ccc(N2CCC(O)CC2)c(OC(C)C)c1.
What is the InChIKey of 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is MMPXJQVMZMIIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-9-19-13-15-5-6-17(18(12-15)22-14(2)3)20-10-7-16(21)8-11-20/h4-6,12,14,16,19,21H,1,7-11,13H2,2-3H3.
What are the key properties of 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol?
1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 304.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 84750679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).