[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone

C14H19ClN2O — CID 124576129

IUPAC[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CN)ccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-8-11(5-6-13(10)15)14(18)17-7-3-2-4-12(17)9-16/h5-6,8,12H,2-4,7,9,16H2,1H3/t12-/m1/s1
InChIKeyPRNCSMPDMJCPTE-GFCCVEGCSA-N
MW266.77 g/mol
LogP2.60
Rot. Bonds2

About [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone

[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone (PubChem CID 124576129) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
PubChem CID124576129
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CN)ccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-8-11(5-6-13(10)15)14(18)17-7-3-2-4-12(17)9-16/h5-6,8,12H,2-4,7,9,16H2,1H3/t12-/m1/s1
InChIKeyPRNCSMPDMJCPTE-GFCCVEGCSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351034
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
(4-chloro-3-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 113397336
[2-(bromomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 80659471
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone (CID 124576129) is [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCC[C@@H]2CN)ccc1Cl.
What is the InChIKey of [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
The InChIKey is PRNCSMPDMJCPTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-8-11(5-6-13(10)15)14(18)17-7-3-2-4-12(17)9-16/h5-6,8,12H,2-4,7,9,16H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 124576129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).