[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol

C16H33N3O — CID 79634525

IUPAC[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N2CCN(C)C(C)C2)C1
InChIInChI=1S/C16H33N3O/c1-13(2)17-16(12-20)7-5-6-15(10-16)19-9-8-18(4)14(3)11-19/h13-15,17,20H,5-12H2,1-4H3
InChIKeyWAPJHBQIMZOKRV-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.29
Rot. Bonds4

About [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79634525) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79634525
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N2CCN(C)C(C)C2)C1
InChIInChI=1S/C16H33N3O/c1-13(2)17-16(12-20)7-5-6-15(10-16)19-9-8-18(4)14(3)11-19/h13-15,17,20H,5-12H2,1-4H3
InChIKeyWAPJHBQIMZOKRV-UHFFFAOYSA-N
XLogP1.29
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634359
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79647012
(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927
[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656555
[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol
CID 83046688
[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79641284
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656613

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79634525) is [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(N2CCN(C)C(C)C2)C1.
What is the InChIKey of [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is WAPJHBQIMZOKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)17-16(12-20)7-5-6-15(10-16)19-9-8-18(4)14(3)11-19/h13-15,17,20H,5-12H2,1-4H3.
What are the key properties of [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 283.46 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79634525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).