1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol

C25H34N2O2 — CID 46955110

IUPAC1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1CN1CCCC1
InChIInChI=1S/C25H34N2O2/c1-20-6-5-7-23(16-20)25(28)10-14-27(15-11-25)18-21-8-9-24(29-2)22(17-21)19-26-12-3-4-13-26/h5-9,16-17,28H,3-4,10-15,18-19H2,1-2H3
InChIKeyAYQRVNDPFXLKEY-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.08
Rot. Bonds6

About 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol

1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol (PubChem CID 46955110) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
PubChem CID46955110
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1CN1CCCC1
InChIInChI=1S/C25H34N2O2/c1-20-6-5-7-23(16-20)25(28)10-14-27(15-11-25)18-21-8-9-24(29-2)22(17-21)19-26-12-3-4-13-26/h5-9,16-17,28H,3-4,10-15,18-19H2,1-2H3
InChIKeyAYQRVNDPFXLKEY-UHFFFAOYSA-N
XLogP4.08
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
(3S)-3-ethyl-1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 99935983
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51595829
1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674082
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
4-[(dimethylamino)methyl]-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56909684

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
The IUPAC name of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol (CID 46955110) is 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
The canonical SMILES for 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol is COc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1CN1CCCC1.
What is the InChIKey of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
The InChIKey is AYQRVNDPFXLKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-20-6-5-7-23(16-20)25(28)10-14-27(15-11-25)18-21-8-9-24(29-2)22(17-21)19-26-12-3-4-13-26/h5-9,16-17,28H,3-4,10-15,18-19H2,1-2H3.
What are the key properties of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol?
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol has a molecular weight of 394.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 46955110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).