1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine

C18H29N3 — CID 63142322

IUPAC1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine
SMILESCCC1(CN2CCN(c3cccc(C)c3)CC2)CCNC1
InChIInChI=1S/C18H29N3/c1-3-18(7-8-19-14-18)15-20-9-11-21(12-10-20)17-6-4-5-16(2)13-17/h4-6,13,19H,3,7-12,14-15H2,1-2H3
InChIKeyUPHVJMHQTPUPLW-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.51
Rot. Bonds4

About 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine

1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine (PubChem CID 63142322) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine
PubChem CID63142322
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine
SMILESCCC1(CN2CCN(c3cccc(C)c3)CC2)CCNC1
InChIInChI=1S/C18H29N3/c1-3-18(7-8-19-14-18)15-20-9-11-21(12-10-20)17-6-4-5-16(2)13-17/h4-6,13,19H,3,7-12,14-15H2,1-2H3
InChIKeyUPHVJMHQTPUPLW-UHFFFAOYSA-N
XLogP2.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol
CID 62221487
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897429
1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 136562048
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
CID 63143130
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine (CID 63142322) is 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine is CCC1(CN2CCN(c3cccc(C)c3)CC2)CCNC1.
What is the InChIKey of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine?
The InChIKey is UPHVJMHQTPUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-18(7-8-19-14-18)15-20-9-11-21(12-10-20)17-6-4-5-16(2)13-17/h4-6,13,19H,3,7-12,14-15H2,1-2H3.
What are the key properties of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine?
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 63142322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).