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

C24H48N2O — CID 175628931

IUPAC(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
SMILESCCCC(C)OC1CCC(CCCCN2CCN(C(C)CC)[C@H](C)C2)CC1
InChIInChI=1S/C24H48N2O/c1-6-10-22(5)27-24-14-12-23(13-15-24)11-8-9-16-25-17-18-26(20(3)7-2)21(4)19-25/h20-24H,6-19H2,1-5H3/t20?,21-,22?,23?,24?/m1/s1
InChIKeyHITZOMZVLCGKKK-OVHOTPAZSA-N
MW380.66 g/mol
LogP5.73
Rot. Bonds11

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

(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine (PubChem CID 175628931) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine.

Molecular Properties

Compound Name(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
PubChem CID175628931
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
SMILESCCCC(C)OC1CCC(CCCCN2CCN(C(C)CC)[C@H](C)C2)CC1
InChIInChI=1S/C24H48N2O/c1-6-10-22(5)27-24-14-12-23(13-15-24)11-8-9-16-25-17-18-26(20(3)7-2)21(4)19-25/h20-24H,6-19H2,1-5H3/t20?,21-,22?,23?,24?/m1/s1
InChIKeyHITZOMZVLCGKKK-OVHOTPAZSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-4-[(2S)-5-(4-pentan-2-yloxycyclohexyl)pentan-2-yl]piperazine
CID 175629011
1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628957
(2S)-1-propan-2-yl-4-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372801
4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine
CID 154670454
1-[4-(4-methoxycyclohexyl)butyl]-3-methylpyrrolidine
CID 175626996
1-(4-octan-2-yloxycyclohexyl)-2-(4-pentylcyclohexyl)ethanone
CID 156679225
(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
3-butyl-1-hexylpyrrolidine
CID 171570679
4-butyl-1-octylpiperidine
CID 171570418
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
1,3-di(tridecyl)piperidine
CID 162511834

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
The IUPAC name of (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine (CID 175628931) is (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine.
What is the SMILES notation for (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
The canonical SMILES for (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine is CCCC(C)OC1CCC(CCCCN2CCN(C(C)CC)[C@H](C)C2)CC1.
What is the InChIKey of (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
The InChIKey is HITZOMZVLCGKKK-OVHOTPAZSA-N. The full InChI is InChI=1S/C24H48N2O/c1-6-10-22(5)27-24-14-12-23(13-15-24)11-8-9-16-25-17-18-26(20(3)7-2)21(4)19-25/h20-24H,6-19H2,1-5H3/t20?,21-,22?,23?,24?/m1/s1.
What are the key properties of (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine?
(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]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 (2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine is sourced from PubChem (CID 175628931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).