4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol

C16H32N2O — CID 165498716

IUPAC4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol
SMILESCCN1CCN(C2CC(O)CCC2C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-17-8-10-18(11-9-17)15-12-13(19)6-7-14(15)16(2,3)4/h13-15,19H,5-12H2,1-4H3
InChIKeyNIKPWCBLPVRRCR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds2

About 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol

4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 165498716) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID165498716
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol
SMILESCCN1CCN(C2CC(O)CCC2C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-17-8-10-18(11-9-17)15-12-13(19)6-7-14(15)16(2,3)4/h13-15,19H,5-12H2,1-4H3
InChIKeyNIKPWCBLPVRRCR-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-tert-butylcyclohexan-1-ol
CID 165491993
trans-(1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734329
3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496308
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
CID 63704462
4-tert-butyl-2-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 43291751
3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione
CID 165492086
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497496
4-tert-butyl-3-(ethylamino)cyclohexan-1-ol
CID 165490862
4-tert-butyl-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 165492080
3-tert-butyl-4-chlorocyclohexan-1-ol
CID 170925763

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol (CID 165498716) is 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol is CCN1CCN(C2CC(O)CCC2C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is NIKPWCBLPVRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-17-8-10-18(11-9-17)15-12-13(19)6-7-14(15)16(2,3)4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol?
4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165498716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).