1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine

C24H48N2O — CID 175629011

IUPAC1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine
SMILESCCCC(C)OC1CCC(CCC[C@H](C)N2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C24H48N2O/c1-6-9-22(5)27-24-14-12-23(13-15-24)11-8-10-21(4)26-18-16-25(17-19-26)20(3)7-2/h20-24H,6-19H2,1-5H3/t20?,21-,22?,23?,24?/m0/s1
InChIKeyGUZSMFBLNMTBJI-IPZTUTPFSA-N
MW380.66 g/mol
LogP5.73
Rot. Bonds11

About 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine

1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine (PubChem CID 175629011) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine
PubChem CID175629011
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine
SMILESCCCC(C)OC1CCC(CCC[C@H](C)N2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C24H48N2O/c1-6-9-22(5)27-24-14-12-23(13-15-24)11-8-10-21(4)26-18-16-25(17-19-26)20(3)7-2/h20-24H,6-19H2,1-5H3/t20?,21-,22?,23?,24?/m0/s1
InChIKeyGUZSMFBLNMTBJI-IPZTUTPFSA-N
XLogP5.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine with MolForge

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Related Compounds

1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628957
(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628931
1-(4-butan-2-ylpiperazin-1-yl)-4-(4-methoxycyclohexyl)butan-1-one
CID 175629703
1-(4-octan-2-yloxycyclohexyl)-2-(4-pentylcyclohexyl)ethanone
CID 156679225
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
4-(4-butylpiperidin-1-yl)pentanoic acid
CID 174440246
4-octyl-1-propan-2-ylpiperidine
CID 167231286
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
1-tert-butyl-4-hexan-2-yloxycyclohexane
CID 126552494
N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
CID 55069814
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine (CID 175629011) is 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine is CCCC(C)OC1CCC(CCC[C@H](C)N2CCN(C(C)CC)CC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine?
The InChIKey is GUZSMFBLNMTBJI-IPZTUTPFSA-N. The full InChI is InChI=1S/C24H48N2O/c1-6-9-22(5)27-24-14-12-23(13-15-24)11-8-10-21(4)26-18-16-25(17-19-26)20(3)7-2/h20-24H,6-19H2,1-5H3/t20?,21-,22?,23?,24?/m0/s1.
What are the key properties of 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine?
1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine has a molecular weight of 380.66 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine is sourced from PubChem (CID 175629011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).