1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine

C15H26N4 — CID 82303054

IUPAC1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
SMILESCN1CCN(C(c2cc[nH]c2)C2CCNCC2)CC1
InChIInChI=1S/C15H26N4/c1-18-8-10-19(11-9-18)15(14-4-7-17-12-14)13-2-5-16-6-3-13/h4,7,12-13,15-17H,2-3,5-6,8-11H2,1H3
InChIKeyNZLPWOVTYRTHDX-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.30
Rot. Bonds3

About 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine

1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine (PubChem CID 82303054) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
PubChem CID82303054
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
SMILESCN1CCN(C(c2cc[nH]c2)C2CCNCC2)CC1
InChIInChI=1S/C15H26N4/c1-18-8-10-19(11-9-18)15(14-4-7-17-12-14)13-2-5-16-6-3-13/h4,7,12-13,15-17H,2-3,5-6,8-11H2,1H3
InChIKeyNZLPWOVTYRTHDX-UHFFFAOYSA-N
XLogP1.30
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
CID 82290436
1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine
CID 82296742
4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine
CID 82296098
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
CID 116935548
1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine
CID 116825058
1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
CID 82283605
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine (CID 82303054) is 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine is CN1CCN(C(c2cc[nH]c2)C2CCNCC2)CC1.
What is the InChIKey of 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine?
The InChIKey is NZLPWOVTYRTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-18-8-10-19(11-9-18)15(14-4-7-17-12-14)13-2-5-16-6-3-13/h4,7,12-13,15-17H,2-3,5-6,8-11H2,1H3.
What are the key properties of 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine?
1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 82303054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).