1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine

C17H34N2 — CID 104575658

IUPAC1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine
SMILESCC(C)(C)C1CCC(CN2CCNCC2(C)C)CC1
InChIInChI=1S/C17H34N2/c1-16(2,3)15-8-6-14(7-9-15)12-19-11-10-18-13-17(19,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyXAURAAPCAAJXKO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds2

About 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine

1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine (PubChem CID 104575658) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine
PubChem CID104575658
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine
SMILESCC(C)(C)C1CCC(CN2CCNCC2(C)C)CC1
InChIInChI=1S/C17H34N2/c1-16(2,3)15-8-6-14(7-9-15)12-19-11-10-18-13-17(19,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyXAURAAPCAAJXKO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine (CID 104575658) is 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine is CC(C)(C)C1CCC(CN2CCNCC2(C)C)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is XAURAAPCAAJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2,3)15-8-6-14(7-9-15)12-19-11-10-18-13-17(19,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine?
1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 104575658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).