1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride

C19H23ClFNO2 — CID 11631684

IUPAC1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
SMILESCOc1cccc(C2(O)CCCN(Cc3ccc(F)cc3)C2)c1.Cl
InChIInChI=1S/C19H22FNO2.ClH/c1-23-18-5-2-4-16(12-18)19(22)10-3-11-21(14-19)13-15-6-8-17(20)9-7-15;/h2,4-9,12,22H,3,10-11,13-14H2,1H3;1H
InChIKeyFDIJJSLDVWBBAL-UHFFFAOYSA-N
MW351.85 g/mol
LogP3.74
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride

1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride (PubChem CID 11631684) has the molecular formula C19H23ClFNO2 and a molecular weight of 351.85 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
PubChem CID11631684
Molecular FormulaC19H23ClFNO2
Molecular Weight351.85 g/mol
Exact Mass351.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
SMILESCOc1cccc(C2(O)CCCN(Cc3ccc(F)cc3)C2)c1.Cl
InChIInChI=1S/C19H22FNO2.ClH/c1-23-18-5-2-4-16(12-18)19(22)10-3-11-21(14-19)13-15-6-8-17(20)9-7-15;/h2,4-9,12,22H,3,10-11,13-14H2,1H3;1H
InChIKeyFDIJJSLDVWBBAL-UHFFFAOYSA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11711307
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol
CID 91156516
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
CID 11560902
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
ethyl 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-1H-indole-2-carboxylate
CID 10160604
ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate
CID 91429341
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
CID 175649184

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride (CID 11631684) is 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride is COc1cccc(C2(O)CCCN(Cc3ccc(F)cc3)C2)c1.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
The InChIKey is FDIJJSLDVWBBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2.ClH/c1-23-18-5-2-4-16(12-18)19(22)10-3-11-21(14-19)13-15-6-8-17(20)9-7-15;/h2,4-9,12,22H,3,10-11,13-14H2,1H3;1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride has a molecular weight of 351.85 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride is sourced from PubChem (CID 11631684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).