1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride

C17H27ClN2O — CID 119381458

IUPAC1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
SMILESCCCCc1ccc(CC(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-3-5-14-7-9-15(10-8-14)12-17(20)19-11-4-6-16(18)13-19;/h7-10,16H,2-6,11-13,18H2,1H3;1H
InChIKeyMOUXKFBFDOJYGG-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.94
Rot. Bonds5

About 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride

1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride (PubChem CID 119381458) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
PubChem CID119381458
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
SMILESCCCCc1ccc(CC(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-3-5-14-7-9-15(10-8-14)12-17(20)19-11-4-6-16(18)13-19;/h7-10,16H,2-6,11-13,18H2,1H3;1H
InChIKeyMOUXKFBFDOJYGG-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopiperidin-1-yl)-4-(4-pentylphenyl)butane-1,4-dione;hydrochloride
CID 119380450
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide
CID 119482159
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride (CID 119381458) is 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride is CCCCc1ccc(CC(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride?
The InChIKey is MOUXKFBFDOJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-2-3-5-14-7-9-15(10-8-14)12-17(20)19-11-4-6-16(18)13-19;/h7-10,16H,2-6,11-13,18H2,1H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119381458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).