1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C15H25N3O2 — CID 3863720

IUPAC1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)OCC(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H25N3O2/c1-13(2)20-12-14(19)11-17-7-9-18(10-8-17)15-5-3-4-6-16-15/h3-6,13-14,19H,7-12H2,1-2H3
InChIKeyNWIIALRHJLBOBS-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.99
Rot. Bonds6

About 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 3863720) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID3863720
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)OCC(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H25N3O2/c1-13(2)20-12-14(19)11-17-7-9-18(10-8-17)15-5-3-4-6-16-15/h3-6,13-14,19H,7-12H2,1-2H3
InChIKeyNWIIALRHJLBOBS-UHFFFAOYSA-N
XLogP0.99
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
(2R)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1311309
1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 56723815
(2S)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1315226
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride
CID 21237902
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 24836839
1-[4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 1094949

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 3863720) is 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is CC(C)OCC(O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is NWIIALRHJLBOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13(2)20-12-14(19)11-17-7-9-18(10-8-17)15-5-3-4-6-16-15/h3-6,13-14,19H,7-12H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3863720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).