(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride

C16H25ClN2O — CID 119276186

IUPAC(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(17)16(19)18-11-9-15(10-12-18)8-7-14-5-3-2-4-6-14;/h2-6,13,15H,7-12,17H2,1H3;1H/t13-;/m1./s1
InChIKeyLYSBUZKAHBXNOK-BTQNPOSSSA-N
MW296.84 g/mol
LogP2.63
Rot. Bonds4

About (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119276186) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119276186
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(17)16(19)18-11-9-15(10-12-18)8-7-14-5-3-2-4-6-14;/h2-6,13,15H,7-12,17H2,1H3;1H/t13-;/m1./s1
InChIKeyLYSBUZKAHBXNOK-BTQNPOSSSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
2-methylsulfonyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 47039161
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
CID 72839247
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 77144164
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119276186) is (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCC(CCc2ccccc2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is LYSBUZKAHBXNOK-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13(17)16(19)18-11-9-15(10-12-18)8-7-14-5-3-2-4-6-14;/h2-6,13,15H,7-12,17H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119276186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).