(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone

C11H18ClNO — CID 102961823

IUPAC(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
SMILESCC1CCN(C(=O)C2CCC2)CC1Cl
InChIInChI=1S/C11H18ClNO/c1-8-5-6-13(7-10(8)12)11(14)9-3-2-4-9/h8-10H,2-7H2,1H3
InChIKeyRLGHWNAUAFIWSN-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.26
Rot. Bonds1

About (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone

(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone (PubChem CID 102961823) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
PubChem CID102961823
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
SMILESCC1CCN(C(=O)C2CCC2)CC1Cl
InChIInChI=1S/C11H18ClNO/c1-8-5-6-13(7-10(8)12)11(14)9-3-2-4-9/h8-10H,2-7H2,1H3
InChIKeyRLGHWNAUAFIWSN-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102961315
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
2-adamantyl-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 102961323
(3-chloro-4-methylpiperidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 102961746
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone?
The IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone (CID 102961823) is (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone?
The canonical SMILES for (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone is CC1CCN(C(=O)C2CCC2)CC1Cl.
What is the InChIKey of (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone?
The InChIKey is RLGHWNAUAFIWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8-5-6-13(7-10(8)12)11(14)9-3-2-4-9/h8-10H,2-7H2,1H3.
What are the key properties of (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone?
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone has a molecular weight of 215.72 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 102961823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).