[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone

C16H17ClN2O — CID 63398231

IUPAC[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(CCl)CC1
InChIInChI=1S/C16H17ClN2O/c17-11-12-7-9-19(10-8-12)16(20)15-6-5-13-3-1-2-4-14(13)18-15/h1-6,12H,7-11H2
InChIKeyWWBLPFZNHZYSJW-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.33
Rot. Bonds2

About [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone

[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 63398231) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID63398231
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(CCl)CC1
InChIInChI=1S/C16H17ClN2O/c17-11-12-7-9-19(10-8-12)16(20)15-6-5-13-3-1-2-4-14(13)18-15/h1-6,12H,7-11H2
InChIKeyWWBLPFZNHZYSJW-UHFFFAOYSA-N
XLogP3.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 46511035
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941517
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 79868417
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone (CID 63398231) is [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCC(CCl)CC1.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is WWBLPFZNHZYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-11-12-7-9-19(10-8-12)16(20)15-6-5-13-3-1-2-4-14(13)18-15/h1-6,12H,7-11H2.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 288.78 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 63398231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).