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

C15H30N2O — CID 59007535

IUPACcis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC)C1
InChIInChI=1S/C15H30N2O/c1-3-18-14-8-6-10-17(12-14)11-13-7-4-5-9-15(13)16-2/h13-16H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyJTFHCIDVZWPMHI-KFWWJZLASA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

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

cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine (PubChem CID 59007535) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
PubChem CID59007535
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Namecis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC)C1
InChIInChI=1S/C15H30N2O/c1-3-18-14-8-6-10-17(12-14)11-13-7-4-5-9-15(13)16-2/h13-16H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyJTFHCIDVZWPMHI-KFWWJZLASA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine (CID 59007535) is cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine is CCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC)C1.
What is the InChIKey of cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is JTFHCIDVZWPMHI-KFWWJZLASA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-18-14-8-6-10-17(12-14)11-13-7-4-5-9-15(13)16-2/h13-16H,3-12H2,1-2H3/t13-,14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
cis-(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 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]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 59007535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).