4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine

C17H32N2O — CID 63903227

IUPAC4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
SMILESC1CCC(C2CCCN2CCCOC2CCNCC2)C1
InChIInChI=1S/C17H32N2O/c1-2-6-15(5-1)17-7-3-12-19(17)13-4-14-20-16-8-10-18-11-9-16/h15-18H,1-14H2
InChIKeyCJEXAMNCDJFKRN-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine

4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine (PubChem CID 63903227) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine.

Molecular Properties

Compound Name4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
PubChem CID63903227
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
SMILESC1CCC(C2CCCN2CCCOC2CCNCC2)C1
InChIInChI=1S/C17H32N2O/c1-2-6-15(5-1)17-7-3-12-19(17)13-4-14-20-16-8-10-18-11-9-16/h15-18H,1-14H2
InChIKeyCJEXAMNCDJFKRN-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-piperidin-4-yloxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 55251141
1-(3-methoxypropyl)-2-piperidin-4-ylazepane
CID 64852585
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
1-(2-methoxyethyl)-2-piperidin-4-ylazepane
CID 64851835
3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine
CID 66273644
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pentane-1-thiol
CID 102729051
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexane-1-thiol
CID 102729068
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane
CID 62832964
3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine
CID 66271295
3-methyl-4-(3-piperidin-4-yloxypropyl)morpholine
CID 63905297

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine?
The IUPAC name of 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine (CID 63903227) is 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine.
What is the SMILES notation for 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine?
The canonical SMILES for 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine is C1CCC(C2CCCN2CCCOC2CCNCC2)C1.
What is the InChIKey of 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine?
The InChIKey is CJEXAMNCDJFKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-6-15(5-1)17-7-3-12-19(17)13-4-14-20-16-8-10-18-11-9-16/h15-18H,1-14H2.
What are the key properties of 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine?
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine is sourced from PubChem (CID 63903227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).