4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol

C18H36N2O — CID 81107475

IUPAC4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(C)(O)CC2)CCC(C)CC1
InChIInChI=1S/C18H36N2O/c1-4-11-19-14-18(7-5-16(2)6-8-18)15-20-12-9-17(3,21)10-13-20/h16,19,21H,4-15H2,1-3H3
InChIKeyUJZSSGIYUAYJFE-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds6

About 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol

4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 81107475) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID81107475
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNCC1(CN2CCC(C)(O)CC2)CCC(C)CC1
InChIInChI=1S/C18H36N2O/c1-4-11-19-14-18(7-5-16(2)6-8-18)15-20-12-9-17(3,21)10-13-20/h16,19,21H,4-15H2,1-3H3
InChIKeyUJZSSGIYUAYJFE-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol (CID 81107475) is 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol is CCCNCC1(CN2CCC(C)(O)CC2)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is UJZSSGIYUAYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-11-19-14-18(7-5-16(2)6-8-18)15-20-12-9-17(3,21)10-13-20/h16,19,21H,4-15H2,1-3H3.
What are the key properties of 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol?
4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 81107475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).