1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride

C19H31ClN2O — CID 119517112

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
SMILESCCC(CC(=O)N1CCC(C(C)N)CC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-4-16(18-7-5-14(2)6-8-18)13-19(22)21-11-9-17(10-12-21)15(3)20;/h5-8,15-17H,4,9-13,20H2,1-3H3;1H
InChIKeySZMCJDPFUBDMCW-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.89
Rot. Bonds5

About 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride (PubChem CID 119517112) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
PubChem CID119517112
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
SMILESCCC(CC(=O)N1CCC(C(C)N)CC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-4-16(18-7-5-14(2)6-8-18)13-19(22)21-11-9-17(10-12-21)15(3)20;/h5-8,15-17H,4,9-13,20H2,1-3H3;1H
InChIKeySZMCJDPFUBDMCW-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119644558
1-(3-aminopiperidin-1-yl)-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119377565
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119488071
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
CID 120684265
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119520970
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride (CID 119517112) is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride is CCC(CC(=O)N1CCC(C(C)N)CC1)c1ccc(C)cc1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride?
The InChIKey is SZMCJDPFUBDMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-4-16(18-7-5-14(2)6-8-18)13-19(22)21-11-9-17(10-12-21)15(3)20;/h5-8,15-17H,4,9-13,20H2,1-3H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119517112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).