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

C15H23N3 — CID 117366264

IUPAC1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
SMILESc1cc(C2CCCN2)ccc1CN1CCNCC1
InChIInChI=1S/C15H23N3/c1-2-15(17-7-1)14-5-3-13(4-6-14)12-18-10-8-16-9-11-18/h3-6,15-17H,1-2,7-12H2
InChIKeyWHOABQCBVVEZTB-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.52
Rot. Bonds3

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

1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine (PubChem CID 117366264) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
PubChem CID117366264
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
SMILESc1cc(C2CCCN2)ccc1CN1CCNCC1
InChIInChI=1S/C15H23N3/c1-2-15(17-7-1)14-5-3-13(4-6-14)12-18-10-8-16-9-11-18/h3-6,15-17H,1-2,7-12H2
InChIKeyWHOABQCBVVEZTB-UHFFFAOYSA-N
XLogP1.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
1-[[4-(oxan-4-yl)phenyl]methyl]piperazine
CID 117405519
1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
CID 117434167
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
CID 11174238
1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
CID 117374711

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine (CID 117366264) is 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine is c1cc(C2CCCN2)ccc1CN1CCNCC1.
What is the InChIKey of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine?
The InChIKey is WHOABQCBVVEZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-15(17-7-1)14-5-3-13(4-6-14)12-18-10-8-16-9-11-18/h3-6,15-17H,1-2,7-12H2.
What are the key properties of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine?
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine has a molecular weight of 245.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 117366264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).