(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol

C18H27N3O2 — CID 95978173

IUPAC(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(CCCc2nc3ccccc3o2)C[C@@H]1C
InChIInChI=1S/C18H27N3O2/c1-14-12-20(10-11-21(14)13-15(2)22)9-5-8-18-19-16-6-3-4-7-17(16)23-18/h3-4,6-7,14-15,22H,5,8-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyRLBLIDKWVLZHFO-LSDHHAIUSA-N
MW317.43 g/mol
LogP2.15
Rot. Bonds6

About (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 95978173) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID95978173
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(CCCc2nc3ccccc3o2)C[C@@H]1C
InChIInChI=1S/C18H27N3O2/c1-14-12-20(10-11-21(14)13-15(2)22)9-5-8-18-19-16-6-3-4-7-17(16)23-18/h3-4,6-7,14-15,22H,5,8-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyRLBLIDKWVLZHFO-LSDHHAIUSA-N
XLogP2.15
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978172
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136
(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95766493
2-[3-(4-methylpiperidin-1-yl)propyl]-1,3-benzoxazole
CID 22989639
2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 67987635
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 95610921
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126788904
methyl (2S,6R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-6-methylmorpholine-2-carboxylate
CID 97064905
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 90644065

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 95978173) is (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(CCCc2nc3ccccc3o2)C[C@@H]1C.
What is the InChIKey of (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is RLBLIDKWVLZHFO-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-12-20(10-11-21(14)13-15(2)22)9-5-8-18-19-16-6-3-4-7-17(16)23-18/h3-4,6-7,14-15,22H,5,8-13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 317.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95978173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).