(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one

C15H21ClN2O2 — CID 119321782

IUPAC(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(17)15(20)18-8-6-12(7-9-18)14(19)11-2-4-13(16)5-3-11/h2-5,10,12,14,19H,6-9,17H2,1H3/t10-,14?/m0/s1
InChIKeyYMKVJSNGJFXDTP-XLLULAGJSA-N
MW296.80 g/mol
LogP1.96
Rot. Bonds3

About (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one (PubChem CID 119321782) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
PubChem CID119321782
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(17)15(20)18-8-6-12(7-9-18)14(19)11-2-4-13(16)5-3-11/h2-5,10,12,14,19H,6-9,17H2,1H3/t10-,14?/m0/s1
InChIKeyYMKVJSNGJFXDTP-XLLULAGJSA-N
XLogP1.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
CID 120562532
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119321787
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
(2S)-2-amino-1-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propan-1-one
CID 99704053
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 95187272
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one (CID 119321782) is (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one?
The InChIKey is YMKVJSNGJFXDTP-XLLULAGJSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(17)15(20)18-8-6-12(7-9-18)14(19)11-2-4-13(16)5-3-11/h2-5,10,12,14,19H,6-9,17H2,1H3/t10-,14?/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one has a molecular weight of 296.80 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119321782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).