[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone

C14H24ClNO — CID 106828939

IUPAC[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCCCC2CCl)CCCCC1
InChIInChI=1S/C14H24ClNO/c1-14(8-4-2-5-9-14)13(17)16-10-6-3-7-12(16)11-15/h12H,2-11H2,1H3
InChIKeyVPOMPRFLKJEYCK-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.58
Rot. Bonds2

About [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone

[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone (PubChem CID 106828939) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone
PubChem CID106828939
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCCCC2CCl)CCCCC1
InChIInChI=1S/C14H24ClNO/c1-14(8-4-2-5-9-14)13(17)16-10-6-3-7-12(16)11-15/h12H,2-11H2,1H3
InChIKeyVPOMPRFLKJEYCK-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.58
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-(methylamino)ethyl]piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828027
methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
CID 106828161
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003183
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
(4-methyloxan-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 154747951
1-[2-(chloromethyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 116639008
[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106826007
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828078
[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
CID 116639879
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone (CID 106828939) is [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone is CC1(C(=O)N2CCCCC2CCl)CCCCC1.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is VPOMPRFLKJEYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-14(8-4-2-5-9-14)13(17)16-10-6-3-7-12(16)11-15/h12H,2-11H2,1H3.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone?
[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 257.80 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106828939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).