1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine

C24H48N2O — CID 175628957

IUPAC1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
SMILESCCCC(C)OC1CCC(CC[C@@H](C)CN2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C24H48N2O/c1-6-8-22(5)27-24-13-11-23(12-14-24)10-9-20(3)19-25-15-17-26(18-16-25)21(4)7-2/h20-24H,6-19H2,1-5H3/t20-,21?,22?,23?,24?/m1/s1
InChIKeyCAVFKKGTELYNGC-AZQVTIPCSA-N
MW380.66 g/mol
LogP5.58
Rot. Bonds11

About 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine

1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine (PubChem CID 175628957) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
PubChem CID175628957
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
SMILESCCCC(C)OC1CCC(CC[C@@H](C)CN2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C24H48N2O/c1-6-8-22(5)27-24-13-11-23(12-14-24)10-9-20(3)19-25-15-17-26(18-16-25)21(4)7-2/h20-24H,6-19H2,1-5H3/t20-,21?,22?,23?,24?/m1/s1
InChIKeyCAVFKKGTELYNGC-AZQVTIPCSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine with MolForge

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Related Compounds

1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine
CID 175629011
1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372630
1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 175636197
(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628931
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine
CID 65012847
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
3-methylpentylcyclopropane
CID 56979389
4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine
CID 154670454
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine (CID 175628957) is 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine is CCCC(C)OC1CCC(CC[C@@H](C)CN2CCN(C(C)CC)CC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
The InChIKey is CAVFKKGTELYNGC-AZQVTIPCSA-N. The full InChI is InChI=1S/C24H48N2O/c1-6-8-22(5)27-24-13-11-23(12-14-24)10-9-20(3)19-25-15-17-26(18-16-25)21(4)7-2/h20-24H,6-19H2,1-5H3/t20-,21?,22?,23?,24?/m1/s1.
What are the key properties of 1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine has a molecular weight of 380.66 g/mol, XLogP of 5.58, 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-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine is sourced from PubChem (CID 175628957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).