1-(4-tert-butylcyclohexyl)-4-ethylpiperazine

C16H32N2 — CID 784591

IUPAC1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
SMILESCCN1CCN(C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-5-17-10-12-18(13-11-17)15-8-6-14(7-9-15)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyPLPGWCCWZVDPJM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine

1-(4-tert-butylcyclohexyl)-4-ethylpiperazine (PubChem CID 784591) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
PubChem CID784591
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
SMILESCCN1CCN(C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-5-17-10-12-18(13-11-17)15-8-6-14(7-9-15)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyPLPGWCCWZVDPJM-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
CID 164838588
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
2-[4-(4-tert-butylcyclohexyl)-1,4-diazepan-1-yl]acetic acid
CID 65061452
4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane
CID 171641351
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
CID 742968
4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 58394776
4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
CID 91007928
4-tert-butyl-2-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 43291751
1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
CID 104575667
1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine
CID 171508679

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine (CID 784591) is 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine is CCN1CCN(C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine?
The InChIKey is PLPGWCCWZVDPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-17-10-12-18(13-11-17)15-8-6-14(7-9-15)16(2,3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine?
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-ethylpiperazine is sourced from PubChem (CID 784591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).