3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane

C20H37N3 — CID 135197051

IUPAC3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(CC1C2CN(C(C)CC3CCCCN3)CC12)N1CCCC1
InChIInChI=1S/C20H37N3/c1-15(11-17-7-3-4-8-21-17)23-13-19-18(20(19)14-23)12-16(2)22-9-5-6-10-22/h15-21H,3-14H2,1-2H3
InChIKeyLHUJUYYGBLNNGK-UHFFFAOYSA-N
MW319.54 g/mol
LogP2.96
Rot. Bonds6

About 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane

3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 135197051) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane
PubChem CID135197051
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(CC1C2CN(C(C)CC3CCCCN3)CC12)N1CCCC1
InChIInChI=1S/C20H37N3/c1-15(11-17-7-3-4-8-21-17)23-13-19-18(20(19)14-23)12-16(2)22-9-5-6-10-22/h15-21H,3-14H2,1-2H3
InChIKeyLHUJUYYGBLNNGK-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S,6R)-2,6-dimethyl-1-(1-piperidin-2-ylpropan-2-yl)piperidine
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(2S)-2-(3-methylbutyl)piperidine
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1-(azocan-2-yl)-3-methylbutan-2-one
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2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
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1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
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2-piperidin-2-yl-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
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CID 175103047

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane (CID 135197051) is 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane is CC(CC1C2CN(C(C)CC3CCCCN3)CC12)N1CCCC1.
What is the InChIKey of 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LHUJUYYGBLNNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3/c1-15(11-17-7-3-4-8-21-17)23-13-19-18(20(19)14-23)12-16(2)22-9-5-6-10-22/h15-21H,3-14H2,1-2H3.
What are the key properties of 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane?
3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 319.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 135197051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).