(2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C12H19Cl2NO — CID 155470229

IUPAC(2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CC2(Cl)Cl)CC1
InChIInChI=1S/C12H19Cl2NO/c1-8(2)9-3-5-15(6-4-9)11(16)10-7-12(10,13)14/h8-10H,3-7H2,1-2H3
InChIKeyWFXHGZDFUNRRLS-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.07
Rot. Bonds2

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

(2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155470229) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155470229
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name(2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CC2(Cl)Cl)CC1
InChIInChI=1S/C12H19Cl2NO/c1-8(2)9-3-5-15(6-4-9)11(16)10-7-12(10,13)14/h8-10H,3-7H2,1-2H3
InChIKeyWFXHGZDFUNRRLS-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.07
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

(2,2-Dichloro-1-methylcyclopropyl)-(3-ethylpiperidin-1-yl)methanone
CID 45816468
4-Chloro-1-(3-methylpiperidin-1-yl)butan-1-one
CID 304090
4-Chloro-1-(4-methylpiperidin-1-yl)butan-1-one
CID 304097
1-(2,2-Dichloro-1-methylcyclopropanecarbonyl)piperidine-4-carboxamide
CID 42910451
Cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
CID 58395218
cyclopropyl-[(3S,4S)-3,4-dimethylpiperidin-1-yl]methanone
CID 58714654
cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone
CID 58714719
Cyclopropyl-(3-propan-2-ylpiperidin-1-yl)methanone
CID 59252395
(1-Methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 59448278
Cyclopropyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 59921671
1-(3-Chloromethyl-piperidin-1-yl)-butan-1-one
CID 63393068

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155470229) is (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CC2(Cl)Cl)CC1.
What is the InChIKey of (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is WFXHGZDFUNRRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NO/c1-8(2)9-3-5-15(6-4-9)11(16)10-7-12(10,13)14/h8-10H,3-7H2,1-2H3.
What are the key properties of (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 264.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155470229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).