4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol

C17H34N2O — CID 81116004

IUPAC4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNC1CCC(C)CC1CN1CCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-4-9-18-16-6-5-14(2)12-15(16)13-19-10-7-17(3,20)8-11-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyBCKAUZXSCRXBTO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds5

About 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol

4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 81116004) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
PubChem CID81116004
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNC1CCC(C)CC1CN1CCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-4-9-18-16-6-5-14(2)12-15(16)13-19-10-7-17(3,20)8-11-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyBCKAUZXSCRXBTO-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol (CID 81116004) is 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol is CCCNC1CCC(C)CC1CN1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is BCKAUZXSCRXBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-9-18-16-6-5-14(2)12-15(16)13-19-10-7-17(3,20)8-11-19/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 81116004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).