(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C14H19ClN2O — CID 63248550

IUPAC(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O/c1-16-10-11-5-7-17(8-6-11)14(18)12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyARDDCPQYGDWYLA-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.41
Rot. Bonds3

About (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63248550) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63248550
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O/c1-16-10-11-5-7-17(8-6-11)14(18)12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyARDDCPQYGDWYLA-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119544153
1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119545663
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150363
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63248550) is (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ARDDCPQYGDWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16-10-11-5-7-17(8-6-11)14(18)12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 266.77 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63248550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).