4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine

C15H25N3 — CID 82296098

IUPAC4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine
SMILESCn1ccc(C(C2CCNCC2)N2CCCC2)c1
InChIInChI=1S/C15H25N3/c1-17-11-6-14(12-17)15(18-9-2-3-10-18)13-4-7-16-8-5-13/h6,11-13,15-16H,2-5,7-10H2,1H3
InChIKeyVQTGTLPEGZMPNV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.16
Rot. Bonds3

About 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine

4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine (PubChem CID 82296098) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine.

Molecular Properties

Compound Name4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine
PubChem CID82296098
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine
SMILESCn1ccc(C(C2CCNCC2)N2CCCC2)c1
InChIInChI=1S/C15H25N3/c1-17-11-6-14(12-17)15(18-9-2-3-10-18)13-4-7-16-8-5-13/h6,11-13,15-16H,2-5,7-10H2,1H3
InChIKeyVQTGTLPEGZMPNV-UHFFFAOYSA-N
XLogP2.16
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
CID 82303054
1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
CID 82303050
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
CID 82290436
1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
CID 171281956
cyclobutyl-(1-methylpyrrol-3-yl)methanamine
CID 82280294
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(S)-cyclobutyl-(4-pyrrolidin-1-ylphenyl)methyl]piperazine;dihydrochloride
CID 171284553
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine?
The IUPAC name of 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine (CID 82296098) is 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine.
What is the SMILES notation for 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine?
The canonical SMILES for 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine is Cn1ccc(C(C2CCNCC2)N2CCCC2)c1.
What is the InChIKey of 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine?
The InChIKey is VQTGTLPEGZMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17-11-6-14(12-17)15(18-9-2-3-10-18)13-4-7-16-8-5-13/h6,11-13,15-16H,2-5,7-10H2,1H3.
What are the key properties of 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine?
4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine has a molecular weight of 247.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine is sourced from PubChem (CID 82296098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).