cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol

C19H29NO2 — CID 97327792

IUPACcis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
SMILESCc1ccc(C)c(OC2CCN([C@H]3CCCC[C@H]3O)CC2)c1
InChIInChI=1S/C19H29NO2/c1-14-7-8-15(2)19(13-14)22-16-9-11-20(12-10-16)17-5-3-4-6-18(17)21/h7-8,13,16-18,21H,3-6,9-12H2,1-2H3/t17-,18+/m0/s1
InChIKeyBZUJULODEPSJMM-ZWKOTPCHSA-N
MW303.45 g/mol
LogP3.45
Rot. Bonds3

About cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol

cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 97327792) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
PubChem CID97327792
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namecis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
SMILESCc1ccc(C)c(OC2CCN([C@H]3CCCC[C@H]3O)CC2)c1
InChIInChI=1S/C19H29NO2/c1-14-7-8-15(2)19(13-14)22-16-9-11-20(12-10-16)17-5-3-4-6-18(17)21/h7-8,13,16-18,21H,3-6,9-12H2,1-2H3/t17-,18+/m0/s1
InChIKeyBZUJULODEPSJMM-ZWKOTPCHSA-N
XLogP3.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044
trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol
CID 132850025
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
trans-(1S,2S)-2-(4-ethoxypiperidin-1-yl)cyclopentan-1-ol
CID 102734432
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-(2,5-dimethylphenoxy)oxane
CID 15305690
4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119930875

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol (CID 97327792) is cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol is Cc1ccc(C)c(OC2CCN([C@H]3CCCC[C@H]3O)CC2)c1.
What is the InChIKey of cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is BZUJULODEPSJMM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14-7-8-15(2)19(13-14)22-16-9-11-20(12-10-16)17-5-3-4-6-18(17)21/h7-8,13,16-18,21H,3-6,9-12H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol?
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 303.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 97327792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).