1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine

C14H23N3 — CID 82290436

IUPAC1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
SMILESc1cc(C(C2CCCC2)N2CCNCC2)c[nH]1
InChIInChI=1S/C14H23N3/c1-2-4-12(3-1)14(13-5-6-16-11-13)17-9-7-15-8-10-17/h5-6,11-12,14-16H,1-4,7-10H2
InChIKeySQWKOZMEABFJHF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.15
Rot. Bonds3

About 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine

1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine (PubChem CID 82290436) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
PubChem CID82290436
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
SMILESc1cc(C(C2CCCC2)N2CCNCC2)c[nH]1
InChIInChI=1S/C14H23N3/c1-2-4-12(3-1)14(13-5-6-16-11-13)17-9-7-15-8-10-17/h5-6,11-12,14-16H,1-4,7-10H2
InChIKeySQWKOZMEABFJHF-UHFFFAOYSA-N
XLogP2.15
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
CID 82303054
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
CID 171285149
1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
CID 171293328
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
CID 171288154
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine
CID 171281674
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine (CID 82290436) is 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine is c1cc(C(C2CCCC2)N2CCNCC2)c[nH]1.
What is the InChIKey of 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine?
The InChIKey is SQWKOZMEABFJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-4-12(3-1)14(13-5-6-16-11-13)17-9-7-15-8-10-17/h5-6,11-12,14-16H,1-4,7-10H2.
What are the key properties of 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine?
1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine has a molecular weight of 233.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 82290436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).