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

C17H34N2O — CID 79634359

IUPAC[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC1CCN(C2CCCC(CO)(NC(C)C)C2)C(C)C1
InChIInChI=1S/C17H34N2O/c1-13(2)18-17(12-20)8-5-6-16(11-17)19-9-7-14(3)10-15(19)4/h13-16,18,20H,5-12H2,1-4H3
InChIKeyKTPQOPUAGAEZKH-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds4

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

[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79634359) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79634359
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC1CCN(C2CCCC(CO)(NC(C)C)C2)C(C)C1
InChIInChI=1S/C17H34N2O/c1-13(2)18-17(12-20)8-5-6-16(11-17)19-9-7-14(3)10-15(19)4/h13-16,18,20H,5-12H2,1-4H3
InChIKeyKTPQOPUAGAEZKH-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651689
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525
[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol
CID 83046688
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635678
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79647012
[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-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79634359) is [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is CC1CCN(C2CCCC(CO)(NC(C)C)C2)C(C)C1.
What is the InChIKey of [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is KTPQOPUAGAEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)18-17(12-20)8-5-6-16(11-17)19-9-7-14(3)10-15(19)4/h13-16,18,20H,5-12H2,1-4H3.
What are the key properties of [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79634359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).