3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol

C18H29NO3 — CID 110538251

IUPAC3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(C)CCC2O)ccc1OC(C)C
InChIInChI=1S/C18H29NO3/c1-5-21-18-11-14(6-7-17(18)22-13(2)3)10-15-12-19(4)9-8-16(15)20/h6-7,11,13,15-16,20H,5,8-10,12H2,1-4H3
InChIKeyDAHVJPNGKOUOSF-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.73
Rot. Bonds6

About 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol

3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 110538251) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID110538251
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(C)CCC2O)ccc1OC(C)C
InChIInChI=1S/C18H29NO3/c1-5-21-18-11-14(6-7-17(18)22-13(2)3)10-15-12-19(4)9-8-16(15)20/h6-7,11,13,15-16,20H,5,8-10,12H2,1-4H3
InChIKeyDAHVJPNGKOUOSF-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110535252
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370
3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538204
2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one
CID 82185931
3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536604
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
(3R,4R)-1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163318221
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 110538251) is 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol is CCOc1cc(CC2CN(C)CCC2O)ccc1OC(C)C.
What is the InChIKey of 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is DAHVJPNGKOUOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-21-18-11-14(6-7-17(18)22-13(2)3)10-15-12-19(4)9-8-16(15)20/h6-7,11,13,15-16,20H,5,8-10,12H2,1-4H3.
What are the key properties of 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 307.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 110538251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).