(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol

C21H26BrNO — CID 45258690

IUPAC(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26BrNO/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15H2,1H3/t16-,21-/m0/s1
InChIKeyBIDXBNZLVVAYTL-KKSFZXQISA-N
MW388.35 g/mol
LogP4.83
Rot. Bonds5

About (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol

(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol (PubChem CID 45258690) has the molecular formula C21H26BrNO and a molecular weight of 388.35 g/mol. Its IUPAC name is (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
PubChem CID45258690
Molecular FormulaC21H26BrNO
Molecular Weight388.35 g/mol
Exact Mass387.12
IUPAC Name(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26BrNO/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15H2,1H3/t16-,21-/m0/s1
InChIKeyBIDXBNZLVVAYTL-KKSFZXQISA-N
XLogP4.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258806
(1R,2R)-1-[4-(8-aminooctylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258577
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964
(1R,2R)-1-[4-(6-aminohexylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol;trihydrochloride
CID 45258576
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 54736028
3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
CID 79415056
6-[4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 78411292
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 159181965
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol
CID 71008556

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol (CID 45258690) is (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol is C[C@@H]([C@H](O)c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol?
The InChIKey is BIDXBNZLVVAYTL-KKSFZXQISA-N. The full InChI is InChI=1S/C21H26BrNO/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15H2,1H3/t16-,21-/m0/s1.
What are the key properties of (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol?
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol has a molecular weight of 388.35 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol is sourced from PubChem (CID 45258690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).