[4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone

C14H24ClNO2 — CID 82701546

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC(OCCCl)CC2)CCCC1
InChIInChI=1S/C14H24ClNO2/c1-14(6-2-3-7-14)13(17)16-9-4-12(5-10-16)18-11-8-15/h12H,2-11H2,1H3
InChIKeyFVLVKLJVKGEEOE-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.81
Rot. Bonds4

About [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone (PubChem CID 82701546) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
PubChem CID82701546
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC(OCCCl)CC2)CCCC1
InChIInChI=1S/C14H24ClNO2/c1-14(6-2-3-7-14)13(17)16-9-4-12(5-10-16)18-11-8-15/h12H,2-11H2,1H3
InChIKeyFVLVKLJVKGEEOE-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
CID 82701030
[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 82688976
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 82696089
1-[4-(2-chloroethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 82701908
1-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpentan-1-one
CID 82700911
1-[4-(2-chloroethoxy)piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212917
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 82701555
[4-(methylamino)piperidin-1-yl]-(1-methylcyclobutyl)methanone
CID 119561901
1-[4-(2-chloroethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701754
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106829116

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone (CID 82701546) is [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone is CC1(C(=O)N2CCC(OCCCl)CC2)CCCC1.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
The InChIKey is FVLVKLJVKGEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-14(6-2-3-7-14)13(17)16-9-4-12(5-10-16)18-11-8-15/h12H,2-11H2,1H3.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone has a molecular weight of 273.80 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 82701546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).