1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine

C16H25N3 — CID 116988478

IUPAC1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
SMILESCN1CCNCC1Cc1ccc(C2CCNC2)cc1
InChIInChI=1S/C16H25N3/c1-19-9-8-18-12-16(19)10-13-2-4-14(5-3-13)15-6-7-17-11-15/h2-5,15-18H,6-12H2,1H3
InChIKeyLCMHWLAMRVLUAN-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine

1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine (PubChem CID 116988478) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
PubChem CID116988478
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
SMILESCN1CCNCC1Cc1ccc(C2CCNC2)cc1
InChIInChI=1S/C16H25N3/c1-19-9-8-18-12-16(19)10-13-2-4-14(5-3-13)15-6-7-17-11-15/h2-5,15-18H,6-12H2,1H3
InChIKeyLCMHWLAMRVLUAN-UHFFFAOYSA-N
XLogP1.21
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
CID 117336989
2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988436
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine (CID 116988478) is 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine is CN1CCNCC1Cc1ccc(C2CCNC2)cc1.
What is the InChIKey of 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine?
The InChIKey is LCMHWLAMRVLUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-19-9-8-18-12-16(19)10-13-2-4-14(5-3-13)15-6-7-17-11-15/h2-5,15-18H,6-12H2,1H3.
What are the key properties of 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine?
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine has a molecular weight of 259.40 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine is sourced from PubChem (CID 116988478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).