1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine

C22H35N3 — CID 138042151

IUPAC1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccccc1)CN1CCN(CCN2C(C)CCC2C)CC1
InChIInChI=1S/C22H35N3/c1-19(17-22-7-5-4-6-8-22)18-24-13-11-23(12-14-24)15-16-25-20(2)9-10-21(25)3/h4-8,17,20-21H,9-16,18H2,1-3H3/b19-17+
InChIKeyHQUPWONHKIUPQH-HTXNQAPBSA-N
MW341.54 g/mol
LogP3.58
Rot. Bonds6

About 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine

1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (PubChem CID 138042151) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
PubChem CID138042151
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccccc1)CN1CCN(CCN2C(C)CCC2C)CC1
InChIInChI=1S/C22H35N3/c1-19(17-22-7-5-4-6-8-22)18-24-13-11-23(12-14-24)15-16-25-20(2)9-10-21(25)3/h4-8,17,20-21H,9-16,18H2,1-3H3/b19-17+
InChIKeyHQUPWONHKIUPQH-HTXNQAPBSA-N
XLogP3.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine with MolForge

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Related Compounds

(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981090
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510
(3R)-3-amino-1-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 124694201
3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 84593330
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
CID 91941498
ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
CID 757381
[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 154779546
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol
CID 138045097

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (CID 138042151) is 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is C/C(=C\c1ccccc1)CN1CCN(CCN2C(C)CCC2C)CC1.
What is the InChIKey of 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The InChIKey is HQUPWONHKIUPQH-HTXNQAPBSA-N. The full InChI is InChI=1S/C22H35N3/c1-19(17-22-7-5-4-6-8-22)18-24-13-11-23(12-14-24)15-16-25-20(2)9-10-21(25)3/h4-8,17,20-21H,9-16,18H2,1-3H3/b19-17+.
What are the key properties of 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine has a molecular weight of 341.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 138042151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).