1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride

C17H30ClN3O2 — CID 56723815

IUPAC1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCN(CCc2ccccn2)CC1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-15(2)22-14-17(21)13-20-11-9-19(10-12-20)8-6-16-5-3-4-7-18-16;/h3-5,7,15,17,21H,6,8-14H2,1-2H3;1H
InChIKeyNHRWEODTHXLQMH-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.45
Rot. Bonds8

About 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride

1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride (PubChem CID 56723815) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride
PubChem CID56723815
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCN(CCc2ccccn2)CC1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-15(2)22-14-17(21)13-20-11-9-19(10-12-20)8-6-16-5-3-4-7-18-16;/h3-5,7,15,17,21H,6,8-14H2,1-2H3;1H
InChIKeyNHRWEODTHXLQMH-UHFFFAOYSA-N
XLogP1.45
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride with MolForge

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Related Compounds

1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
CID 3387508
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
CID 63339911
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 102227069
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422245

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride (CID 56723815) is 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride is CC(C)OCC(O)CN1CCN(CCc2ccccn2)CC1.Cl.
What is the InChIKey of 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is NHRWEODTHXLQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c1-15(2)22-14-17(21)13-20-11-9-19(10-12-20)8-6-16-5-3-4-7-18-16;/h3-5,7,15,17,21H,6,8-14H2,1-2H3;1H.
What are the key properties of 1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride?
1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.45, 8 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-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 56723815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).