1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine

C14H27N3 — CID 82388905

IUPAC1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine
SMILESC1CCC([C@H]2NCC[C@@H]2CN2CCNCC2)C1
InChIInChI=1S/C14H27N3/c1-2-4-12(3-1)14-13(5-6-16-14)11-17-9-7-15-8-10-17/h12-16H,1-11H2/t13-,14-/m1/s1
InChIKeyQQLBBNGLWYGOLZ-ZIAGYGMSSA-N
MW237.39 g/mol
LogP1.06
Rot. Bonds3

About 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine

1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine (PubChem CID 82388905) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine
PubChem CID82388905
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine
SMILESC1CCC([C@H]2NCC[C@@H]2CN2CCNCC2)C1
InChIInChI=1S/C14H27N3/c1-2-4-12(3-1)14-13(5-6-16-14)11-17-9-7-15-8-10-17/h12-16H,1-11H2/t13-,14-/m1/s1
InChIKeyQQLBBNGLWYGOLZ-ZIAGYGMSSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
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CID 115100681
1-(oxan-2-ylmethyl)piperazine
CID 14981447
1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
CID 82565018
1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 165137582
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane
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2-cyclohexyl-3-(methoxymethyl)piperidine
CID 105465441

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine (CID 82388905) is 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine is C1CCC([C@H]2NCC[C@@H]2CN2CCNCC2)C1.
What is the InChIKey of 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine?
The InChIKey is QQLBBNGLWYGOLZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-4-12(3-1)14-13(5-6-16-14)11-17-9-7-15-8-10-17/h12-16H,1-11H2/t13-,14-/m1/s1.
What are the key properties of 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine?
1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3R)-2-cyclopentylpyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 82388905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).