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

C18H29NO3 — CID 72852998

IUPAC(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCCOc1ccccc1CN1CC[C@@](O)(CCOC)[C@H](C)C1
InChIInChI=1S/C18H29NO3/c1-4-22-17-8-6-5-7-16(17)14-19-11-9-18(20,10-12-21-3)15(2)13-19/h5-8,15,20H,4,9-14H2,1-3H3/t15-,18-/m1/s1
InChIKeyIUOYHZIQPYNEPO-CRAIPNDOSA-N
MW307.43 g/mol
LogP2.69
Rot. Bonds7

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

(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (PubChem CID 72852998) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
PubChem CID72852998
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCCOc1ccccc1CN1CC[C@@](O)(CCOC)[C@H](C)C1
InChIInChI=1S/C18H29NO3/c1-4-22-17-8-6-5-7-16(17)14-19-11-9-18(20,10-12-21-3)15(2)13-19/h5-8,15,20H,4,9-14H2,1-3H3/t15-,18-/m1/s1
InChIKeyIUOYHZIQPYNEPO-CRAIPNDOSA-N
XLogP2.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol
CID 72925834
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72880822
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
(3R,4R)-4-cyclopropyl-3-methyl-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-4-ol
CID 72877253
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 110357392
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
2-[2-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 70762122
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 124980177

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (CID 72852998) is (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is CCOc1ccccc1CN1CC[C@@](O)(CCOC)[C@H](C)C1.
What is the InChIKey of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The InChIKey is IUOYHZIQPYNEPO-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-22-17-8-6-5-7-16(17)14-19-11-9-18(20,10-12-21-3)15(2)13-19/h5-8,15,20H,4,9-14H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol has a molecular weight of 307.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 72852998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).