[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

C15H22N2O2 — CID 82830655

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-8-4-5-12(9-17)11(2)16/h3,6-7,11-12,18H,4-5,8-9,16H2,1-2H3
InChIKeyWHFDZOSXVFURAH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82830655) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82830655
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-8-4-5-12(9-17)11(2)16/h3,6-7,11-12,18H,4-5,8-9,16H2,1-2H3
InChIKeyWHFDZOSXVFURAH-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513786
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 113360696
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 99848583
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124682502
[3-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone;hydrochloride
CID 119593436
[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82827096
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 82830655) is [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is WHFDZOSXVFURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-8-4-5-12(9-17)11(2)16/h3,6-7,11-12,18H,4-5,8-9,16H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82830655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).