1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol

C17H28N2O — CID 106835504

IUPAC1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
SMILESCc1ccc(C(C(C)N)N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-12-4-6-16(7-5-12)17(13(2)18)19-10-8-15(9-11-19)14(3)20/h4-7,13-15,17,20H,8-11,18H2,1-3H3
InChIKeyBHOFQQNDXZHJER-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.48
Rot. Bonds4

About 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol

1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol (PubChem CID 106835504) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
PubChem CID106835504
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
SMILESCc1ccc(C(C(C)N)N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-12-4-6-16(7-5-12)17(13(2)18)19-10-8-15(9-11-19)14(3)20/h4-7,13-15,17,20H,8-11,18H2,1-3H3
InChIKeyBHOFQQNDXZHJER-UHFFFAOYSA-N
XLogP2.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 62774582
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
CID 106835579
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 63603789
1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
CID 112624537

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol (CID 106835504) is 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol is Cc1ccc(C(C(C)N)N2CCC(C(C)O)CC2)cc1.
What is the InChIKey of 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol?
The InChIKey is BHOFQQNDXZHJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-4-6-16(7-5-12)17(13(2)18)19-10-8-15(9-11-19)14(3)20/h4-7,13-15,17,20H,8-11,18H2,1-3H3.
What are the key properties of 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol?
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106835504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).