1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C16H26ClN3O2 — CID 75437482

IUPAC1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C16H26ClN3O2/c1-16(2,3)22-12-13(21)11-19-6-8-20(9-7-19)15-4-5-18-10-14(15)17/h4-5,10,13,21H,6-9,11-12H2,1-3H3
InChIKeyTVCUTLOROCDSNT-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.03
Rot. Bonds5

About 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 75437482) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID75437482
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C16H26ClN3O2/c1-16(2,3)22-12-13(21)11-19-6-8-20(9-7-19)15-4-5-18-10-14(15)17/h4-5,10,13,21H,6-9,11-12H2,1-3H3
InChIKeyTVCUTLOROCDSNT-UHFFFAOYSA-N
XLogP2.03
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

1-[1-(4-chlorophenyl)ethoxy]-3-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]propan-2-ol
CID 166183844
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 3583119
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;dihydrochloride
CID 16832245
1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 44785164
(2S)-1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 99716189
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
2-[4-(3-chloro-4-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 79839795
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
(2S)-1-[4-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 118190245
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 75437482) is 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CN1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is TVCUTLOROCDSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-16(2,3)22-12-13(21)11-19-6-8-20(9-7-19)15-4-5-18-10-14(15)17/h4-5,10,13,21H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 327.86 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 75437482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).