1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol

C16H32N2O — CID 114681929

IUPAC1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol
SMILESCCCC1CCC(N)C(CN2CCC(O)C(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-4-13-5-6-15(17)14(9-13)11-18-8-7-16(19)12(2)10-18/h12-16,19H,3-11,17H2,1-2H3
InChIKeyZVJAUOUUGUIGHH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.23
Rot. Bonds4

About 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol

1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114681929) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol
PubChem CID114681929
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol
SMILESCCCC1CCC(N)C(CN2CCC(O)C(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-4-13-5-6-15(17)14(9-13)11-18-8-7-16(19)12(2)10-18/h12-16,19H,3-11,17H2,1-2H3
InChIKeyZVJAUOUUGUIGHH-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol (CID 114681929) is 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol is CCCC1CCC(N)C(CN2CCC(O)C(C)C2)C1.
What is the InChIKey of 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is ZVJAUOUUGUIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-4-13-5-6-15(17)14(9-13)11-18-8-7-16(19)12(2)10-18/h12-16,19H,3-11,17H2,1-2H3.
What are the key properties of 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol?
1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 268.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).