1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine

C17H27N3 — CID 117436736

IUPAC1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(CC3CCCN3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-19-9-11-20(12-10-19)14-16-6-4-15(5-7-16)13-17-3-2-8-18-17/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyNOAWINMJHFCZPZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.73
Rot. Bonds4

About 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine

1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine (PubChem CID 117436736) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
PubChem CID117436736
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(CC3CCCN3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-19-9-11-20(12-10-19)14-16-6-4-15(5-7-16)13-17-3-2-8-18-17/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyNOAWINMJHFCZPZ-UHFFFAOYSA-N
XLogP1.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117436449
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
CID 117443093
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
CID 82665559
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine (CID 117436736) is 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine is CN1CCN(Cc2ccc(CC3CCCN3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine?
The InChIKey is NOAWINMJHFCZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-9-11-20(12-10-19)14-16-6-4-15(5-7-16)13-17-3-2-8-18-17/h4-7,17-18H,2-3,8-14H2,1H3.
What are the key properties of 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine?
1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117436736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).