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

C19H23BrClNO2 — CID 11711307

IUPAC1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
SMILESCOc1cccc(C2(O)CCCN(Cc3ccc(Br)cc3)C2)c1.Cl
InChIInChI=1S/C19H22BrNO2.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
InChIKeyRYPLHRVMLVUZMT-UHFFFAOYSA-N
MW412.76 g/mol
LogP4.36
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride (PubChem CID 11711307) has the molecular formula C19H23BrClNO2 and a molecular weight of 412.76 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
PubChem CID11711307
Molecular FormulaC19H23BrClNO2
Molecular Weight412.76 g/mol
Exact Mass411.06
IUPAC Name1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
SMILESCOc1cccc(C2(O)CCCN(Cc3ccc(Br)cc3)C2)c1.Cl
InChIInChI=1S/C19H22BrNO2.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
InChIKeyRYPLHRVMLVUZMT-UHFFFAOYSA-N
XLogP4.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.76
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
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
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
ethyl 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-1H-indole-2-carboxylate
CID 10160604
2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
CID 1371281
ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate
CID 91429341
4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
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-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride (CID 11711307) is 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride is COc1cccc(C2(O)CCCN(Cc3ccc(Br)cc3)C2)c1.Cl.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
The InChIKey is RYPLHRVMLVUZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2.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-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride?
1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride has a molecular weight of 412.76 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride is sourced from PubChem (CID 11711307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).