1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine

C18H34N2O — CID 140709127

IUPAC1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-15(2)16-3-5-17(6-4-16)19-9-11-20(12-10-19)18-7-13-21-14-8-18/h15-18H,3-14H2,1-2H3
InChIKeyBDQFVXACUJSIKD-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.00
Rot. Bonds3

About 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine

1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 140709127) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID140709127
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-15(2)16-3-5-17(6-4-16)19-9-11-20(12-10-19)18-7-13-21-14-8-18/h15-18H,3-14H2,1-2H3
InChIKeyBDQFVXACUJSIKD-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
CID 124624964
N-methyl-N-(4-propan-2-ylcyclohexyl)oxan-4-amine
CID 89671367
4-[4-[4-(4-Tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine
CID 131991575
1-(Oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709133
1-(Oxan-4-yl)-4-(3-propylhexyl)piperazine
CID 144236275
1-(4-Methylcyclohexyl)-4-(oxan-4-yl)piperazine
CID 148732228
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
CID 158111671
Tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane
CID 159488669
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;1,3-dimethyl-5-propan-2-ylcyclohexane;4-propan-2-yloxane
CID 159587821
Tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;methane
CID 161132830
4-butoxy-1-methylpiperidine;N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 169214971
1-Methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine
CID 170117888

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine (CID 140709127) is 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(C3CCOCC3)CC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is BDQFVXACUJSIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)16-3-5-17(6-4-16)19-9-11-20(12-10-19)18-7-13-21-14-8-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 294.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 140709127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).