1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine

C22H35NO — CID 53298709

IUPAC1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine
SMILESC[C@@H]1CC(C)(C)C[C@@](OCCN2CCCCC2)(c2ccccc2)C1
InChIInChI=1S/C22H35NO/c1-19-16-21(2,3)18-22(17-19,20-10-6-4-7-11-20)24-15-14-23-12-8-5-9-13-23/h4,6-7,10-11,19H,5,8-9,12-18H2,1-3H3/t19-,22-/m1/s1
InChIKeySEINAULMIKRPHQ-DENIHFKCSA-N
MW329.53 g/mol
LogP5.23
Rot. Bonds5

About 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine

1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine (PubChem CID 53298709) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine
PubChem CID53298709
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine
SMILESC[C@@H]1CC(C)(C)C[C@@](OCCN2CCCCC2)(c2ccccc2)C1
InChIInChI=1S/C22H35NO/c1-19-16-21(2,3)18-22(17-19,20-10-6-4-7-11-20)24-15-14-23-12-8-5-9-13-23/h4,6-7,10-11,19H,5,8-9,12-18H2,1-3H3/t19-,22-/m1/s1
InChIKeySEINAULMIKRPHQ-DENIHFKCSA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride
CID 134109106
(3,3,5-trimethyl-1-phenylcyclohexyl) hexanoate
CID 71418817
methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 173358944
2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
CID 76961064
(NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine
CID 139068824
1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
CID 21395249
9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane
CID 59367776
4-pyridin-3-yl-4-(2-pyrrolidin-1-ylethoxy)azepane;hydrochloride
CID 68992497
(1-propoxycyclobutyl)benzene
CID 57027852
oxalic acid;1-(2-phenylethyl)-4-(2-piperidin-1-ylethoxy)-4-[3-(trifluoromethyl)phenyl]piperidine
CID 157050111
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine (CID 53298709) is 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine is C[C@@H]1CC(C)(C)C[C@@](OCCN2CCCCC2)(c2ccccc2)C1.
What is the InChIKey of 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine?
The InChIKey is SEINAULMIKRPHQ-DENIHFKCSA-N. The full InChI is InChI=1S/C22H35NO/c1-19-16-21(2,3)18-22(17-19,20-10-6-4-7-11-20)24-15-14-23-12-8-5-9-13-23/h4,6-7,10-11,19H,5,8-9,12-18H2,1-3H3/t19-,22-/m1/s1.
What are the key properties of 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine?
1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine has a molecular weight of 329.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,5R)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine is sourced from PubChem (CID 53298709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).