1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine

C18H28N2 — CID 61101148

IUPAC1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C18H28N2/c1-15(16-7-3-2-4-8-16)13-20-12-6-9-17(14-20)18-10-5-11-19-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyCYBVPJCNUUNSSJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine

1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 61101148) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID61101148
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C18H28N2/c1-15(16-7-3-2-4-8-16)13-20-12-6-9-17(14-20)18-10-5-11-19-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyCYBVPJCNUUNSSJ-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile
CID 64538266
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine
CID 74591802
3-butan-2-yl-1-(2-phenylpropyl)-1,4-diazepane
CID 104592353
3-methyl-1-(2-phenylpropyl)piperazine
CID 65416584
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
(4aS,7aS)-6-(2-phenylpropylsulfonyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681105
(4aR,7aR)-6-[(1S)-1-phenylethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 66771891
N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine (CID 61101148) is 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine is CC(CN1CCCC(C2CCCN2)C1)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is CYBVPJCNUUNSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(16-7-3-2-4-8-16)13-20-12-6-9-17(14-20)18-10-5-11-19-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3.
What are the key properties of 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine?
1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 272.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 61101148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).