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

C14H19ClN2O — CID 63195172

IUPAC[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-2-3-12(8-13(10)15)14(18)17-6-4-11(9-16)5-7-17/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyMVOPFNIDOWGTHB-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.46
Rot. Bonds2

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

[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone (PubChem CID 63195172) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
PubChem CID63195172
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-2-3-12(8-13(10)15)14(18)17-6-4-11(9-16)5-7-17/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyMVOPFNIDOWGTHB-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
(3-chloro-4-methylphenyl)-[(3R)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 96568375
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
[4-(chloromethyl)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63397948
1-(3-chloro-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 55162757
[4-(2-aminoethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 103209483
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119423120
[4-(3-aminoprop-1-ynyl)-3-chlorophenyl]-(4-ethylpiperidin-1-yl)methanone
CID 81294355

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone (CID 63195172) is [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(CN)CC2)cc1Cl.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The InChIKey is MVOPFNIDOWGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-2-3-12(8-13(10)15)14(18)17-6-4-11(9-16)5-7-17/h2-3,8,11H,4-7,9,16H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 63195172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).