1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride

C20H32ClNO — CID 134109106

IUPAC1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride
SMILESCC1CCCCC1(OCCN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C20H31NO.ClH/c1-18-10-6-7-13-20(18,19-11-4-2-5-12-19)22-17-16-21-14-8-3-9-15-21;/h2,4-5,11-12,18H,3,6-10,13-17H2,1H3;1H
InChIKeyYICJTQCOCWEHNA-UHFFFAOYSA-N
MW337.94 g/mol
LogP5.02
Rot. Bonds5

About 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride

1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride (PubChem CID 134109106) has the molecular formula C20H32ClNO and a molecular weight of 337.94 g/mol. Its IUPAC name is 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride
PubChem CID134109106
Molecular FormulaC20H32ClNO
Molecular Weight337.94 g/mol
Exact Mass337.22
IUPAC Name1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride
SMILESCC1CCCCC1(OCCN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C20H31NO.ClH/c1-18-10-6-7-13-20(18,19-11-4-2-5-12-19)22-17-16-21-14-8-3-9-15-21;/h2,4-5,11-12,18H,3,6-10,13-17H2,1H3;1H
InChIKeyYICJTQCOCWEHNA-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.94
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine
CID 53298709
[(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene
CID 6711989
1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine
CID 11500051
2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
CID 76961064
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
CID 23497852
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid
CID 10387048
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669515
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride (CID 134109106) is 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride is CC1CCCCC1(OCCN1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride?
The InChIKey is YICJTQCOCWEHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO.ClH/c1-18-10-6-7-13-20(18,19-11-4-2-5-12-19)22-17-16-21-14-8-3-9-15-21;/h2,4-5,11-12,18H,3,6-10,13-17H2,1H3;1H.
What are the key properties of 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride?
1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride has a molecular weight of 337.94 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 134109106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).