2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol

C15H31N3O — CID 117239159

IUPAC2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCCN1CCC(C(CO)CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H31N3O/c1-3-17-6-4-14(5-7-17)15(13-19)12-18-10-8-16(2)9-11-18/h14-15,19H,3-13H2,1-2H3
InChIKeyMPQOXMSQFGBIMR-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.57
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol

2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol (PubChem CID 117239159) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
PubChem CID117239159
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCCN1CCC(C(CO)CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H31N3O/c1-3-17-6-4-14(5-7-17)15(13-19)12-18-10-8-16(2)9-11-18/h14-15,19H,3-13H2,1-2H3
InChIKeyMPQOXMSQFGBIMR-UHFFFAOYSA-N
XLogP0.57
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)-3-piperidin-1-ylpropan-1-ol
CID 117237653
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 170281150
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 117239139
2-cyclobutyl-3-morpholin-4-ylpropan-1-ol
CID 117245621

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol (CID 117239159) is 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol is CCN1CCC(C(CO)CN2CCN(C)CC2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The InChIKey is MPQOXMSQFGBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-17-6-4-14(5-7-17)15(13-19)12-18-10-8-16(2)9-11-18/h14-15,19H,3-13H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 117239159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).