1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride

C13H19ClN2O — CID 112756506

IUPAC1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O.ClH/c14-12-7-4-8-15(10-12)13(16)9-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H
InChIKeyUOUXTJZZHVJNGB-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.60
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride

1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride (PubChem CID 112756506) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
PubChem CID112756506
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O.ClH/c14-12-7-4-8-15(10-12)13(16)9-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H
InChIKeyUOUXTJZZHVJNGB-UHFFFAOYSA-N
XLogP1.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119487183
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride (CID 112756506) is 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride is Cl.NC1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride?
The InChIKey is UOUXTJZZHVJNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c14-12-7-4-8-15(10-12)13(16)9-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.60, 2 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-phenylethanone;hydrochloride is sourced from PubChem (CID 112756506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).