[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol

C17H32N2O — CID 79634714

IUPAC[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
SMILESCC1CC(C)CN(C2CCCC(CO)(NC3CC3)C2)C1
InChIInChI=1S/C17H32N2O/c1-13-8-14(2)11-19(10-13)16-4-3-7-17(9-16,12-20)18-15-5-6-15/h13-16,18,20H,3-12H2,1-2H3
InChIKeyPCBYDKFMQPTQLL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.39
Rot. Bonds4

About [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol (PubChem CID 79634714) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
PubChem CID79634714
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
SMILESCC1CC(C)CN(C2CCCC(CO)(NC3CC3)C2)C1
InChIInChI=1S/C17H32N2O/c1-13-8-14(2)11-19(10-13)16-4-3-7-17(9-16,12-20)18-15-5-6-15/h13-16,18,20H,3-12H2,1-2H3
InChIKeyPCBYDKFMQPTQLL-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol
CID 79633952
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640171
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
CID 79634509
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol
CID 102887311
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[1-(cyclopentylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450338
[1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentyl]methanol
CID 79656844
[1-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanol
CID 102968918
[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol
CID 79646242

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol (CID 79634714) is [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol is CC1CC(C)CN(C2CCCC(CO)(NC3CC3)C2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol?
The InChIKey is PCBYDKFMQPTQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-8-14(2)11-19(10-13)16-4-3-7-17(9-16,12-20)18-15-5-6-15/h13-16,18,20H,3-12H2,1-2H3.
What are the key properties of [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol has a molecular weight of 280.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 79634714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).