(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol

C19H24BrN3O2 — CID 97316322

IUPAC(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESO[C@@H](COc1ccccc1)CN1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C19H24BrN3O2/c20-16-6-7-17(21-12-16)13-22-8-10-23(11-9-22)14-18(24)15-25-19-4-2-1-3-5-19/h1-7,12,18,24H,8-11,13-15H2/t18-/m1/s1
InChIKeyGCOSNYHDPNMCCU-GOSISDBHSA-N
MW406.32 g/mol
LogP2.40
Rot. Bonds7

About (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol

(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 97316322) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID97316322
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESO[C@@H](COc1ccccc1)CN1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C19H24BrN3O2/c20-16-6-7-17(21-12-16)13-22-8-10-23(11-9-22)14-18(24)15-25-19-4-2-1-3-5-19/h1-7,12,18,24H,8-11,13-15H2/t18-/m1/s1
InChIKeyGCOSNYHDPNMCCU-GOSISDBHSA-N
XLogP2.40
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
(2S)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1315226
(2R)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1311309
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
(2R)-1-phenoxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 97245429

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (CID 97316322) is (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is O[C@@H](COc1ccccc1)CN1CCN(Cc2ccc(Br)cn2)CC1.
What is the InChIKey of (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is GCOSNYHDPNMCCU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c20-16-6-7-17(21-12-16)13-22-8-10-23(11-9-22)14-18(24)15-25-19-4-2-1-3-5-19/h1-7,12,18,24H,8-11,13-15H2/t18-/m1/s1.
What are the key properties of (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 406.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 97316322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).