[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol

C15H31N3O — CID 79633660

IUPAC[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C15H31N3O/c1-14(2)11-18(9-8-17(14)4)13-6-5-7-15(10-13,12-19)16-3/h13,16,19H,5-12H2,1-4H3
InChIKeyDARQGYGMNJDYHD-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds3

About [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol

[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol (PubChem CID 79633660) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
PubChem CID79633660
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C15H31N3O/c1-14(2)11-18(9-8-17(14)4)13-6-5-7-15(10-13,12-19)16-3/h13,16,19H,5-12H2,1-4H3
InChIKeyDARQGYGMNJDYHD-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclohexyl]methanol
CID 79633930
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640301
[3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656046
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79627045
[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol
CID 79635369
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79651708
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79635833
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
[3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79646760
[8-methyl-3-(methylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054110
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol (CID 79633660) is [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol is CNC1(CO)CCCC(N2CCN(C)C(C)(C)C2)C1.
What is the InChIKey of [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol?
The InChIKey is DARQGYGMNJDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2)11-18(9-8-17(14)4)13-6-5-7-15(10-13,12-19)16-3/h13,16,19H,5-12H2,1-4H3.
What are the key properties of [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol?
[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 79633660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).