1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine

C18H26N2 — CID 115328459

IUPAC1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
SMILESC=C(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C18H26N2/c1-15(16-7-3-2-4-8-16)13-20-12-6-9-17(14-20)18-10-5-11-19-18/h2-4,7-8,17-19H,1,5-6,9-14H2
InChIKeyABMDHSKSVFLCTA-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine

1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 115328459) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID115328459
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
SMILESC=C(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C18H26N2/c1-15(16-7-3-2-4-8-16)13-20-12-6-9-17(14-20)18-10-5-11-19-18/h2-4,7-8,17-19H,1,5-6,9-14H2
InChIKeyABMDHSKSVFLCTA-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylprop-2-enyl)-4-pyrrolidin-2-ylpiperidine
CID 115328480
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434
1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
CID 66046701
1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
CID 61101148
N-[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetyl]benzamide
CID 102682485
N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 60978048
2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile
CID 64538266
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
1-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-phenylpropan-2-ol
CID 102682067
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 65476831

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine (CID 115328459) is 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine is C=C(CN1CCCC(C2CCCN2)C1)c1ccccc1.
What is the InChIKey of 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is ABMDHSKSVFLCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-15(16-7-3-2-4-8-16)13-20-12-6-9-17(14-20)18-10-5-11-19-18/h2-4,7-8,17-19H,1,5-6,9-14H2.
What are the key properties of 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine?
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 270.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 115328459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).