(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone

C11H18ClNO — CID 107003166

IUPAC(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C11H18ClNO/c1-11(2)7-9(11)10(14)13-5-3-8(12)4-6-13/h8-9H,3-7H2,1-2H3
InChIKeyKAKLTAGEWJTYDT-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.26
Rot. Bonds1

About (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone

(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107003166) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107003166
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C11H18ClNO/c1-11(2)7-9(11)10(14)13-5-3-8(12)4-6-13/h8-9H,3-7H2,1-2H3
InChIKeyKAKLTAGEWJTYDT-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

[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 130676353
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003191
3-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]propanoic acid
CID 107000340
2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 107001586
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 104872314
[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003221
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003183

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone (CID 107003166) is (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is KAKLTAGEWJTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-11(2)7-9(11)10(14)13-5-3-8(12)4-6-13/h8-9H,3-7H2,1-2H3.
What are the key properties of (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone 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 (4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107003166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).