1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine

C22H44N4 — CID 129281065

IUPAC1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine
SMILESCCCN1CCN([C@@H](C)C2CCN(C3CCN(CC(C)C)CC3)C2)CC1
InChIInChI=1S/C22H44N4/c1-5-9-23-13-15-25(16-14-23)20(4)21-6-12-26(18-21)22-7-10-24(11-8-22)17-19(2)3/h19-22H,5-18H2,1-4H3/t20-,21?/m0/s1
InChIKeyIBSFQBFWYUMMIN-BGERDNNASA-N
MW364.62 g/mol
LogP2.84
Rot. Bonds7

About 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine

1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine (PubChem CID 129281065) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine
PubChem CID129281065
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Name1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine
SMILESCCCN1CCN([C@@H](C)C2CCN(C3CCN(CC(C)C)CC3)C2)CC1
InChIInChI=1S/C22H44N4/c1-5-9-23-13-15-25(16-14-23)20(4)21-6-12-26(18-21)22-7-10-24(11-8-22)17-19(2)3/h19-22H,5-18H2,1-4H3/t20-,21?/m0/s1
InChIKeyIBSFQBFWYUMMIN-BGERDNNASA-N
XLogP2.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
2-(1-Fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 154669985
4-[2-(1-Ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
CID 154670214
3-Fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]-4-(piperidin-1-ylmethyl)piperidine
CID 156349005
1-[(3-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170448227
1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine
CID 170450620
1-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170617030
1-[(3-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
CID 170629140
1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170629341
1-[[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170629355
1-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(2-methylpropyl)piperazine
CID 178819715
1-Butan-2-yl-4-[(1-ethyl-3-fluoropiperidin-4-yl)methyl]piperazine
CID 178649274

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine?
The IUPAC name of 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine (CID 129281065) is 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine.
What is the SMILES notation for 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine?
The canonical SMILES for 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine is CCCN1CCN([C@@H](C)C2CCN(C3CCN(CC(C)C)CC3)C2)CC1.
What is the InChIKey of 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine?
The InChIKey is IBSFQBFWYUMMIN-BGERDNNASA-N. The full InChI is InChI=1S/C22H44N4/c1-5-9-23-13-15-25(16-14-23)20(4)21-6-12-26(18-21)22-7-10-24(11-8-22)17-19(2)3/h19-22H,5-18H2,1-4H3/t20-,21?/m0/s1.
What are the key properties of 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine?
1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine has a molecular weight of 364.62 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine is sourced from PubChem (CID 129281065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).