1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine

C15H23N3 — CID 117366269

IUPAC1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
SMILESCN1CCN(c2cccc(C3CCNC3)c2)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)15-4-2-3-13(11-15)14-5-6-16-12-14/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyIKUHPWLYWFOUIL-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.52
Rot. Bonds2

About 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine

1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine (PubChem CID 117366269) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
PubChem CID117366269
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
SMILESCN1CCN(c2cccc(C3CCNC3)c2)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)15-4-2-3-13(11-15)14-5-6-16-12-14/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyIKUHPWLYWFOUIL-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(3-piperidin-2-ylphenyl)piperazine
CID 117403033
4-(3-piperidin-4-ylphenyl)morpholine
CID 117368717
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
CID 117444808
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
3-pyrrolidin-3-ylphenol
CID 12937992
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine?
The IUPAC name of 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine (CID 117366269) is 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine is CN1CCN(c2cccc(C3CCNC3)c2)CC1.
What is the InChIKey of 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine?
The InChIKey is IKUHPWLYWFOUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)15-4-2-3-13(11-15)14-5-6-16-12-14/h2-4,11,14,16H,5-10,12H2,1H3.
What are the key properties of 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine?
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine has a molecular weight of 245.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine is sourced from PubChem (CID 117366269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).