1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine

C16H31N3 — CID 58786685

IUPAC1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine
SMILESC1CCC(C(CN2CCCC2)N2CCNCC2)CC1
InChIInChI=1S/C16H31N3/c1-2-6-15(7-3-1)16(14-18-10-4-5-11-18)19-12-8-17-9-13-19/h15-17H,1-14H2
InChIKeyFOIGKIQSGKYKPS-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.94
Rot. Bonds4

About 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine

1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 58786685) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine
PubChem CID58786685
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine
SMILESC1CCC(C(CN2CCCC2)N2CCNCC2)CC1
InChIInChI=1S/C16H31N3/c1-2-6-15(7-3-1)16(14-18-10-4-5-11-18)19-12-8-17-9-13-19/h15-17H,1-14H2
InChIKeyFOIGKIQSGKYKPS-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-cyclohexyl-2-pyrrolidin-1-ylethanol
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1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
CID 69431994
2-cyclopentyl-2-pyrrolidin-1-ylethanamine
CID 62071576
3-(azepan-1-yl)-2-piperidin-4-ylpropanoic acid
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2-cyclobutyl-3-piperidin-1-ylpropan-1-amine
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propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
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CID 60851971

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine (CID 58786685) is 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine is C1CCC(C(CN2CCCC2)N2CCNCC2)CC1.
What is the InChIKey of 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is FOIGKIQSGKYKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-6-15(7-3-1)16(14-18-10-4-5-11-18)19-12-8-17-9-13-19/h15-17H,1-14H2.
What are the key properties of 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine?
1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 265.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 58786685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).