3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine

C18H28N2 — CID 66273007

IUPAC3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
SMILESc1ccc(CCCN2CCCC2C2CCCNC2)cc1
InChIInChI=1S/C18H28N2/c1-2-7-16(8-3-1)9-5-13-20-14-6-11-18(20)17-10-4-12-19-15-17/h1-3,7-8,17-19H,4-6,9-15H2
InChIKeyLEZVODFJXZTMAD-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds5

About 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine

3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine (PubChem CID 66273007) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
PubChem CID66273007
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
SMILESc1ccc(CCCN2CCCC2C2CCCNC2)cc1
InChIInChI=1S/C18H28N2/c1-2-7-16(8-3-1)9-5-13-20-14-6-11-18(20)17-10-4-12-19-15-17/h1-3,7-8,17-19H,4-6,9-15H2
InChIKeyLEZVODFJXZTMAD-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine
CID 102941022
3-[1-(5-fluoropentyl)pyrrolidin-2-yl]piperidine
CID 114280388
3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine
CID 66273644
3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine
CID 66271295
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62273352
2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
CID 68901288
[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 14881723
1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
2-benzyl-1-(2-phenylethyl)-1,4-diazepane
CID 82251349

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine (CID 66273007) is 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine is c1ccc(CCCN2CCCC2C2CCCNC2)cc1.
What is the InChIKey of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine?
The InChIKey is LEZVODFJXZTMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-7-16(8-3-1)9-5-13-20-14-6-11-18(20)17-10-4-12-19-15-17/h1-3,7-8,17-19H,4-6,9-15H2.
What are the key properties of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine?
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66273007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).