2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine

C16H32N2O2 — CID 59007410

IUPAC2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCC[C@@H](OCCOC)C1
InChIInChI=1S/C16H32N2O2/c1-17-16-8-4-3-6-14(16)12-18-9-5-7-15(13-18)20-11-10-19-2/h14-17H,3-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeyRLILWOOQSFLXPV-HWOWSKLDSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds7

About 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine

2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine (PubChem CID 59007410) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
PubChem CID59007410
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCC[C@@H](OCCOC)C1
InChIInChI=1S/C16H32N2O2/c1-17-16-8-4-3-6-14(16)12-18-9-5-7-15(13-18)20-11-10-19-2/h14-17H,3-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeyRLILWOOQSFLXPV-HWOWSKLDSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine (CID 59007410) is 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1CN1CCC[C@@H](OCCOC)C1.
What is the InChIKey of 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is RLILWOOQSFLXPV-HWOWSKLDSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-17-16-8-4-3-6-14(16)12-18-9-5-7-15(13-18)20-11-10-19-2/h14-17H,3-13H2,1-2H3/t14?,15-,16?/m1/s1.
What are the key properties of 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine?
2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 59007410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).