cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride

C15H31ClN2O — CID 69043221

IUPACcis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
SMILESCCOC[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2N)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-2-18-12-13-6-5-9-17(10-13)11-14-7-3-4-8-15(14)16;/h13-15H,2-12,16H2,1H3;1H/t13-,14-,15+;/m1./s1
InChIKeyOZQJOLNJUFUXCZ-QRWISWEOSA-N
MW290.88 g/mol
LogP2.67
Rot. Bonds5

About cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride

cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride (PubChem CID 69043221) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
PubChem CID69043221
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Namecis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
SMILESCCOC[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2N)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-2-18-12-13-6-5-9-17(10-13)11-14-7-3-4-8-15(14)16;/h13-15H,2-12,16H2,1H3;1H/t13-,14-,15+;/m1./s1
InChIKeyOZQJOLNJUFUXCZ-QRWISWEOSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride with MolForge

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Related Compounds

cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 141194202
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 143571311
tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 143571096
2-(ethoxymethyl)cyclohexan-1-amine
CID 79568761
cis-(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;N-[(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]-4-imidazol-1-ylbenzamide;4-imidazol-1-ylbenzoic acid;hydrochloride
CID 162080390
tert-butyl N-[[4-[[(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamoyl]phenyl]methyl]carbamate;cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid;dihydrochloride
CID 157423613
4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol
CID 111148113
4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464
(2R)-2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexan-1-amine
CID 71159970

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride (CID 69043221) is cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride is CCOC[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2N)C1.Cl.
What is the InChIKey of cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is OZQJOLNJUFUXCZ-QRWISWEOSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-2-18-12-13-6-5-9-17(10-13)11-14-7-3-4-8-15(14)16;/h13-15H,2-12,16H2,1H3;1H/t13-,14-,15+;/m1./s1.
What are the key properties of cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride?
cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 2.67, 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-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 69043221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).