1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine

C14H26N2O — CID 86661984

IUPAC1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
SMILESC1CCC(CN2CCN(CC3CO3)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-4-13(5-3-1)10-15-6-8-16(9-7-15)11-14-12-17-14/h13-14H,1-12H2
InChIKeyNXVXJXVEPVGSSU-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.58
Rot. Bonds4

About 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine

1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine (PubChem CID 86661984) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
PubChem CID86661984
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
SMILESC1CCC(CN2CCN(CC3CO3)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-4-13(5-3-1)10-15-6-8-16(9-7-15)11-14-12-17-14/h13-14H,1-12H2
InChIKeyNXVXJXVEPVGSSU-UHFFFAOYSA-N
XLogP1.58
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
4-(cyclohexylmethyl)morpholine
CID 641545
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
CID 146534303
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-(cyclobutylmethyl)azetidine
CID 89347168
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185
4-(cyclohexylmethyl)piperazine-1-carbodithioic acid
CID 155294687
4-(oxiran-2-ylmethyl)thiomorpholine
CID 43210672

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine (CID 86661984) is 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine is C1CCC(CN2CCN(CC3CO3)CC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine?
The InChIKey is NXVXJXVEPVGSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-4-13(5-3-1)10-15-6-8-16(9-7-15)11-14-12-17-14/h13-14H,1-12H2.
What are the key properties of 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine?
1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine has a molecular weight of 238.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine is sourced from PubChem (CID 86661984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).