(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C13H21Cl2NO — CID 155470189

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C13H21Cl2NO/c1-9(2)10-4-6-16(7-5-10)11(17)12(3)8-13(12,14)15/h9-10H,4-8H2,1-3H3
InChIKeyKZBZFPWUWQPQEE-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.46
Rot. Bonds2

About (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155470189) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155470189
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C13H21Cl2NO/c1-9(2)10-4-6-16(7-5-10)11(17)12(3)8-13(12,14)15/h9-10H,4-8H2,1-3H3
InChIKeyKZBZFPWUWQPQEE-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.46
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

1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide
CID 30534375
(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155470006
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone
CID 134020620
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
(1-hydroxycyclopropyl)-[(3R)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176625352
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155470189) is (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is KZBZFPWUWQPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2NO/c1-9(2)10-4-6-16(7-5-10)11(17)12(3)8-13(12,14)15/h9-10H,4-8H2,1-3H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 278.22 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155470189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).