cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine

C14H28N2O — CID 59007522

IUPACcis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine
SMILESCCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2N)C1
InChIInChI=1S/C14H28N2O/c1-2-17-13-7-5-9-16(11-13)10-12-6-3-4-8-14(12)15/h12-14H,2-11,15H2,1H3/t12-,13-,14+/m1/s1
InChIKeyQIMQIFGDIFXZGR-MCIONIFRSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine

cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 59007522) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine
PubChem CID59007522
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Namecis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine
SMILESCCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2N)C1
InChIInChI=1S/C14H28N2O/c1-2-17-13-7-5-9-16(11-13)10-12-6-3-4-8-14(12)15/h12-14H,2-11,15H2,1H3/t12-,13-,14+/m1/s1
InChIKeyQIMQIFGDIFXZGR-MCIONIFRSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine 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 cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine (CID 59007522) is cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine is CCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2N)C1.
What is the InChIKey of cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is QIMQIFGDIFXZGR-MCIONIFRSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-17-13-7-5-9-16(11-13)10-12-6-3-4-8-14(12)15/h12-14H,2-11,15H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine?
cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 59007522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).