4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine

C14H28N2O — CID 69399826

IUPAC4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine
SMILESC[C@@H](OCC1CCC(N)CC1)C1CCCCN1
InChIInChI=1S/C14H28N2O/c1-11(14-4-2-3-9-16-14)17-10-12-5-7-13(15)8-6-12/h11-14,16H,2-10,15H2,1H3/t11-,12?,13?,14?/m1/s1
InChIKeyJOTAHYKXHHSKJA-NTXGFPLRSA-N
MW240.39 g/mol
LogP2.05
Rot. Bonds4

About 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine

4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine (PubChem CID 69399826) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine
PubChem CID69399826
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine
SMILESC[C@@H](OCC1CCC(N)CC1)C1CCCCN1
InChIInChI=1S/C14H28N2O/c1-11(14-4-2-3-9-16-14)17-10-12-5-7-13(15)8-6-12/h11-14,16H,2-10,15H2,1H3/t11-,12?,13?,14?/m1/s1
InChIKeyJOTAHYKXHHSKJA-NTXGFPLRSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55262469
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CID 54373245
2-[(2,6-Dimethylcyclohexyl)oxymethyl]piperidine
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2-Hexan-2-ylmorpholine
CID 18331948
(3S)-3-[cyclohexyl(methoxy)methyl]morpholine
CID 20648539
1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine
CID 22180617
N-methyl-2-morpholin-2-ylcyclohexan-1-amine
CID 23192810
2-Cyclohexylmorpholine
CID 23618595
(3R)-3-(cyclohexylmethoxy)piperidine
CID 26191179
(3S)-3-(cyclohexylmethoxy)piperidine
CID 26191182
3-(Cyclohexylmethoxy)piperidine
CID 43196817

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine (CID 69399826) is 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine is C[C@@H](OCC1CCC(N)CC1)C1CCCCN1.
What is the InChIKey of 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine?
The InChIKey is JOTAHYKXHHSKJA-NTXGFPLRSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(14-4-2-3-9-16-14)17-10-12-5-7-13(15)8-6-12/h11-14,16H,2-10,15H2,1H3/t11-,12?,13?,14?/m1/s1.
What are the key properties of 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine?
4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-piperidin-2-ylethoxy]methyl]cyclohexan-1-amine is sourced from PubChem (CID 69399826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).