1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol

C17H28N2O — CID 110906462

IUPAC1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
SMILESCCc1ccc(CNCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-2-15-4-6-16(7-5-15)14-18-10-3-11-19-12-8-17(20)9-13-19/h4-7,17-18,20H,2-3,8-14H2,1H3
InChIKeyBBCALOMMGXETHC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.19
Rot. Bonds7

About 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol

1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol (PubChem CID 110906462) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
PubChem CID110906462
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
SMILESCCc1ccc(CNCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-2-15-4-6-16(7-5-15)14-18-10-3-11-19-12-8-17(20)9-13-19/h4-7,17-18,20H,2-3,8-14H2,1H3
InChIKeyBBCALOMMGXETHC-UHFFFAOYSA-N
XLogP2.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol
CID 111423505
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
1-[3-[(4-chloro-3-nitrophenyl)methylamino]propyl]piperidin-4-ol
CID 110929379
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol
CID 111466454
1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
CID 111478246
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-(4-methylazepan-1-yl)-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142025150
2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine
CID 24900055
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
CID 110906464

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol (CID 110906462) is 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol is CCc1ccc(CNCCCN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol?
The InChIKey is BBCALOMMGXETHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-15-4-6-16(7-5-15)14-18-10-3-11-19-12-8-17(20)9-13-19/h4-7,17-18,20H,2-3,8-14H2,1H3.
What are the key properties of 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol?
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol has a molecular weight of 276.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 110906462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).