[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone

C19H21ClN2O — CID 126432406

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-18-7-2-1-6-17(18)14-8-10-15(11-9-14)19(23)22-12-4-3-5-16(22)13-21/h1-2,6-11,16H,3-5,12-13,21H2/t16-/m0/s1
InChIKeyKRCDSRVDNKENAM-INIZCTEOSA-N
MW328.84 g/mol
LogP3.96
Rot. Bonds3

About [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone

[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone (PubChem CID 126432406) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
PubChem CID126432406
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-18-7-2-1-6-17(18)14-8-10-15(11-9-14)19(23)22-12-4-3-5-16(22)13-21/h1-2,6-11,16H,3-5,12-13,21H2/t16-/m0/s1
InChIKeyKRCDSRVDNKENAM-INIZCTEOSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
CID 119469651
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119468783
[(2R)-2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 129381673
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone (CID 126432406) is [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone is NC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone?
The InChIKey is KRCDSRVDNKENAM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18-7-2-1-6-17(18)14-8-10-15(11-9-14)19(23)22-12-4-3-5-16(22)13-21/h1-2,6-11,16H,3-5,12-13,21H2/t16-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone has a molecular weight of 328.84 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone is sourced from PubChem (CID 126432406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).