[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone

C15H26ClNO — CID 107183885

IUPAC[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)N1CCC(CCl)CC1
InChIInChI=1S/C15H26ClNO/c1-15(2)8-4-3-5-13(15)14(18)17-9-6-12(11-16)7-10-17/h12-13H,3-11H2,1-2H3
InChIKeyMKRBSAYYPIAWRA-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.68
Rot. Bonds2

About [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone

[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107183885) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
PubChem CID107183885
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)N1CCC(CCl)CC1
InChIInChI=1S/C15H26ClNO/c1-15(2)8-4-3-5-13(15)14(18)17-9-6-12(11-16)7-10-17/h12-13H,3-11H2,1-2H3
InChIKeyMKRBSAYYPIAWRA-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.68
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-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107181008
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107180739
[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180661
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107174400
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107183870
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181027
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184448

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone (CID 107183885) is [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone is CC1(C)CCCCC1C(=O)N1CCC(CCl)CC1.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is MKRBSAYYPIAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-15(2)8-4-3-5-13(15)14(18)17-9-6-12(11-16)7-10-17/h12-13H,3-11H2,1-2H3.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 271.83 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107183885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).