(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C14H24ClNO — CID 102961315

IUPAC(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1Cl
InChIInChI=1S/C14H24ClNO/c1-9-6-7-16(8-10(9)15)12(17)11-13(2,3)14(11,4)5/h9-11H,6-8H2,1-5H3
InChIKeyLWLCLVPTIJXUGP-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.14
Rot. Bonds1

About (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 102961315) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID102961315
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1Cl
InChIInChI=1S/C14H24ClNO/c1-9-6-7-16(8-10(9)15)12(17)11-13(2,3)14(11,4)5/h9-11H,6-8H2,1-5H3
InChIKeyLWLCLVPTIJXUGP-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.14
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-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
CID 102961823
[3-methyl-4-(methylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498376
(3-chloro-4-methylpiperidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 102961746
(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106829116
2-adamantyl-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 102961323
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726
1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide
CID 66478043
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66475400

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 102961315) is (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1Cl.
What is the InChIKey of (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is LWLCLVPTIJXUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-9-6-7-16(8-10(9)15)12(17)11-13(2,3)14(11,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of (3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 257.80 g/mol, XLogP of 3.14, 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)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 102961315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).