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

C14H28N2O — CID 163899406

IUPAC(1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCOC1CCCN(CC2CCCC[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-/m0/s1
InChIKeyQIMQIFGDIFXZGR-RUXDESIVSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

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

(1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 163899406) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID163899406
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCOC1CCCN(CC2CCCC[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-/m0/s1
InChIKeyQIMQIFGDIFXZGR-RUXDESIVSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine (CID 163899406) is (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine is CCOC1CCCN(CC2CCCC[C@@H]2N)C1.
What is the InChIKey of (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is QIMQIFGDIFXZGR-RUXDESIVSA-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-/m0/s1.
What are the key properties of (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
(1S)-2-[(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 (1S)-2-[(3-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 163899406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).