(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol

C18H29NO3 — CID 72925834

IUPAC(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2ccc(C)cc2OC)C[C@H]1C
InChIInChI=1S/C18H29NO3/c1-14-5-6-16(17(11-14)22-4)13-19-9-7-18(20,8-10-21-3)15(2)12-19/h5-6,11,15,20H,7-10,12-13H2,1-4H3/t15-,18-/m1/s1
InChIKeyDOVYUPLKYWLFGX-CRAIPNDOSA-N
MW307.43 g/mol
LogP2.61
Rot. Bonds6

About (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol

(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 72925834) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID72925834
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2ccc(C)cc2OC)C[C@H]1C
InChIInChI=1S/C18H29NO3/c1-14-5-6-16(17(11-14)22-4)13-19-9-7-18(20,8-10-21-3)15(2)12-19/h5-6,11,15,20H,7-10,12-13H2,1-4H3/t15-,18-/m1/s1
InChIKeyDOVYUPLKYWLFGX-CRAIPNDOSA-N
XLogP2.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol with MolForge

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Related Compounds

(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 72852998
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
CID 70717089
7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 159913084
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113
(3S,4R)-3,4-dihydroxy-1-[(2-methoxy-4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166314997
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384381
(3R,4S)-1-[(2-chloro-4,6-dimethoxyphenyl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72901455
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
(3R,4S)-4-(3-fluorophenyl)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 133126192

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol (CID 72925834) is (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol is COCC[C@]1(O)CCN(Cc2ccc(C)cc2OC)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is DOVYUPLKYWLFGX-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H29NO3/c1-14-5-6-16(17(11-14)22-4)13-19-9-7-18(20,8-10-21-3)15(2)12-19/h5-6,11,15,20H,7-10,12-13H2,1-4H3/t15-,18-/m1/s1.
What are the key properties of (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol?
(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 307.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 72925834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).