1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol

C17H34N2O — CID 79852206

IUPAC1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNC1C(CN2CCC(O)CC2)CCCC1(C)C
InChIInChI=1S/C17H34N2O/c1-4-10-18-16-14(6-5-9-17(16,2)3)13-19-11-7-15(20)8-12-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyQIMSQEVPUTYVEE-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds5

About 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol

1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 79852206) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
PubChem CID79852206
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNC1C(CN2CCC(O)CC2)CCCC1(C)C
InChIInChI=1S/C17H34N2O/c1-4-10-18-16-14(6-5-9-17(16,2)3)13-19-11-7-15(20)8-12-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyQIMSQEVPUTYVEE-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 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol (CID 79852206) is 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol is CCCNC1C(CN2CCC(O)CC2)CCCC1(C)C.
What is the InChIKey of 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is QIMSQEVPUTYVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-10-18-16-14(6-5-9-17(16,2)3)13-19-11-7-15(20)8-12-19/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
1-[[3,3-dimethyl-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 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 79852206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).