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

C17H30ClNO2 — CID 82688976

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)N2CCC(OCCCl)CC2)CCCC1
InChIInChI=1S/C17H30ClNO2/c1-14(2)13-17(7-3-4-8-17)16(20)19-10-5-15(6-11-19)21-12-9-18/h14-15H,3-13H2,1-2H3
InChIKeyFRFHWMZTJUBAMT-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.84
Rot. Bonds6

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

[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 82688976) has the molecular formula C17H30ClNO2 and a molecular weight of 315.89 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID82688976
Molecular FormulaC17H30ClNO2
Molecular Weight315.89 g/mol
Exact Mass315.20
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)N2CCC(OCCCl)CC2)CCCC1
InChIInChI=1S/C17H30ClNO2/c1-14(2)13-17(7-3-4-8-17)16(20)19-10-5-15(6-11-19)21-12-9-18/h14-15H,3-13H2,1-2H3
InChIKeyFRFHWMZTJUBAMT-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.84
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-chloroethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
CID 82701546
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 80550886
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclobutyl]methanone
CID 119645218
1-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpentan-1-one
CID 82700911
N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 75425461
1-[4-(2-chloroethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701754
[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 107160172
1-[4-(2-chloroethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 82701908
[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
CID 82701030
1-[4-(2-chloroethoxy)piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212917
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone;hydrochloride
CID 119593126

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone (CID 82688976) is [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone is CC(C)CC1(C(=O)N2CCC(OCCCl)CC2)CCCC1.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is FRFHWMZTJUBAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO2/c1-14(2)13-17(7-3-4-8-17)16(20)19-10-5-15(6-11-19)21-12-9-18/h14-15H,3-13H2,1-2H3.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 315.89 g/mol, XLogP of 3.84, 6 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-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 82688976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).