1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol

C15H31N3O — CID 114593450

IUPAC1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CC(C)C(C)N(CC(O)CN2CCNCC2)C1
InChIInChI=1S/C15H31N3O/c1-12-8-13(2)14(3)18(9-12)11-15(19)10-17-6-4-16-5-7-17/h12-16,19H,4-11H2,1-3H3
InChIKeyQNKDJNOUDVSDAV-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.62
Rot. Bonds4

About 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol

1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol (PubChem CID 114593450) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
PubChem CID114593450
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CC(C)C(C)N(CC(O)CN2CCNCC2)C1
InChIInChI=1S/C15H31N3O/c1-12-8-13(2)14(3)18(9-12)11-15(19)10-17-6-4-16-5-7-17/h12-16,19H,4-11H2,1-3H3
InChIKeyQNKDJNOUDVSDAV-UHFFFAOYSA-N
XLogP0.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449437
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
CID 114592211
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-piperazin-1-ylheptan-2-ol
CID 70501156
1-(methylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255603
(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161396
1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 83227216
1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 65449436
1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine
CID 114593869
2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
CID 114593870
1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65448874

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol (CID 114593450) is 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol is CC1CC(C)C(C)N(CC(O)CN2CCNCC2)C1.
What is the InChIKey of 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is QNKDJNOUDVSDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12-8-13(2)14(3)18(9-12)11-15(19)10-17-6-4-16-5-7-17/h12-16,19H,4-11H2,1-3H3.
What are the key properties of 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 114593450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).