1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol

C15H24N2O — CID 62623074

IUPAC1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
SMILESCc1cccc(C(N)CCN2CCCC(O)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-4-2-5-13(10-12)15(16)7-9-17-8-3-6-14(18)11-17/h2,4-5,10,14-15,18H,3,6-9,11,16H2,1H3
InChIKeyOSQMSKANVCRVPN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.84
Rot. Bonds4

About 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol

1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol (PubChem CID 62623074) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
PubChem CID62623074
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
SMILESCc1cccc(C(N)CCN2CCCC(O)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-4-2-5-13(10-12)15(16)7-9-17-8-3-6-14(18)11-17/h2,4-5,10,14-15,18H,3,6-9,11,16H2,1H3
InChIKeyOSQMSKANVCRVPN-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
CID 62941921
1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol
CID 45247214
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461
1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967295
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 63151563

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol?
The IUPAC name of 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol (CID 62623074) is 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol is Cc1cccc(C(N)CCN2CCCC(O)C2)c1.
What is the InChIKey of 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol?
The InChIKey is OSQMSKANVCRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-4-2-5-13(10-12)15(16)7-9-17-8-3-6-14(18)11-17/h2,4-5,10,14-15,18H,3,6-9,11,16H2,1H3.
What are the key properties of 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol?
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol has a molecular weight of 248.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol is sourced from PubChem (CID 62623074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).