1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine

C18H29N3 — CID 62479760

IUPAC1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
SMILESCc1cccc(N2CCN(CCCC3CCCN3)CC2)c1
InChIInChI=1S/C18H29N3/c1-16-5-2-8-18(15-16)21-13-11-20(12-14-21)10-4-7-17-6-3-9-19-17/h2,5,8,15,17,19H,3-4,6-7,9-14H2,1H3
InChIKeyJIFXWIGTNMGTIY-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.65
Rot. Bonds5

About 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine

1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine (PubChem CID 62479760) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
PubChem CID62479760
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
SMILESCc1cccc(N2CCN(CCCC3CCCN3)CC2)c1
InChIInChI=1S/C18H29N3/c1-16-5-2-8-18(15-16)21-13-11-20(12-14-21)10-4-7-17-6-3-9-19-17/h2,5,8,15,17,19H,3-4,6-7,9-14H2,1H3
InChIKeyJIFXWIGTNMGTIY-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
CID 119513309
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915187

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine?
The IUPAC name of 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine (CID 62479760) is 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine.
What is the SMILES notation for 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine?
The canonical SMILES for 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine is Cc1cccc(N2CCN(CCCC3CCCN3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine?
The InChIKey is JIFXWIGTNMGTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-16-5-2-8-18(15-16)21-13-11-20(12-14-21)10-4-7-17-6-3-9-19-17/h2,5,8,15,17,19H,3-4,6-7,9-14H2,1H3.
What are the key properties of 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine?
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine is sourced from PubChem (CID 62479760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).