1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine

C19H30N2 — CID 64840282

IUPAC1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(CC2CCCCC2)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-19(2)15-21(14-16-9-5-3-6-10-16)18(13-20-19)17-11-7-4-8-12-17/h4,7-8,11-12,16,18,20H,3,5-6,9-10,13-15H2,1-2H3
InChIKeyYOIPGLKRFCWKPJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.99
Rot. Bonds3

About 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine

1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine (PubChem CID 64840282) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
PubChem CID64840282
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(CC2CCCCC2)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-19(2)15-21(14-16-9-5-3-6-10-16)18(13-20-19)17-11-7-4-8-12-17/h4,7-8,11-12,16,18,20H,3,5-6,9-10,13-15H2,1-2H3
InChIKeyYOIPGLKRFCWKPJ-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine (CID 64840282) is 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine is CC1(C)CN(CC2CCCCC2)C(c2ccccc2)CN1.
What is the InChIKey of 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine?
The InChIKey is YOIPGLKRFCWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2)15-21(14-16-9-5-3-6-10-16)18(13-20-19)17-11-7-4-8-12-17/h4,7-8,11-12,16,18,20H,3,5-6,9-10,13-15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine?
1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 64840282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).