[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol

C18H36N2O — CID 83046688

IUPAC[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol
SMILESCCCC1CCCCN1C1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C18H36N2O/c1-4-8-16-9-5-6-12-20(16)17-10-7-11-18(13-17,14-21)19-15(2)3/h15-17,19,21H,4-14H2,1-3H3
InChIKeyFXSRFKFRRLMVST-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.31
Rot. Bonds6

About [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol

[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol (PubChem CID 83046688) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol
PubChem CID83046688
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol
SMILESCCCC1CCCCN1C1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C18H36N2O/c1-4-8-16-9-5-6-12-20(16)17-10-7-11-18(13-17,14-21)19-15(2)3/h15-17,19,21H,4-14H2,1-3H3
InChIKeyFXSRFKFRRLMVST-UHFFFAOYSA-N
XLogP3.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol with MolForge

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Related Compounds

[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634359
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79633807
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
1-amino-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxamide
CID 83062060
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[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
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 83044318
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635678
[1-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79657108
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040

Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol (CID 83046688) is [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol is CCCC1CCCCN1C1CCCC(CO)(NC(C)C)C1.
What is the InChIKey of [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol?
The InChIKey is FXSRFKFRRLMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-8-16-9-5-6-12-20(16)17-10-7-11-18(13-17,14-21)19-15(2)3/h15-17,19,21H,4-14H2,1-3H3.
What are the key properties of [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol?
[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol has a molecular weight of 296.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 83046688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).