1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol

C14H29N3O2 — CID 65448874

IUPAC1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCOC1CCCN(CC(O)CN2CCNCC2)C1
InChIInChI=1S/C14H29N3O2/c1-2-19-14-4-3-7-17(12-14)11-13(18)10-16-8-5-15-6-9-16/h13-15,18H,2-12H2,1H3
InChIKeyZDEOKEBGZWDGHO-UHFFFAOYSA-N
MW271.40 g/mol
LogP-0.25
Rot. Bonds6

About 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol

1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 65448874) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID65448874
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCOC1CCCN(CC(O)CN2CCNCC2)C1
InChIInChI=1S/C14H29N3O2/c1-2-19-14-4-3-7-17(12-14)11-13(18)10-16-8-5-15-6-9-16/h13-15,18H,2-12H2,1H3
InChIKeyZDEOKEBGZWDGHO-UHFFFAOYSA-N
XLogP-0.25
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
CID 65010952
3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
CID 62370527
1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 54989916
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550106
1-piperazin-1-ylheptan-2-ol
CID 70501156
3-ethoxy-1-[(3-ethylpiperidin-3-yl)methyl]piperidine
CID 55167023
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol (CID 65448874) is 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol is CCOC1CCCN(CC(O)CN2CCNCC2)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is ZDEOKEBGZWDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-2-19-14-4-3-7-17(12-14)11-13(18)10-16-8-5-15-6-9-16/h13-15,18H,2-12H2,1H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 271.40 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65448874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).