2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol

C12H25N3O — CID 86323269

IUPAC2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C[C@H]2CCCNC2)CC1
InChIInChI=1S/C12H25N3O/c16-9-8-14-4-6-15(7-5-14)11-12-2-1-3-13-10-12/h12-13,16H,1-11H2/t12-/m0/s1
InChIKeyGQGQRUAAJIJXFP-LBPRGKRZSA-N
MW227.35 g/mol
LogP-0.40
Rot. Bonds4

About 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 86323269) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
PubChem CID86323269
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C[C@H]2CCCNC2)CC1
InChIInChI=1S/C12H25N3O/c16-9-8-14-4-6-15(7-5-14)11-12-2-1-3-13-10-12/h12-13,16H,1-11H2/t12-/m0/s1
InChIKeyGQGQRUAAJIJXFP-LBPRGKRZSA-N
XLogP-0.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
2-[4-(cyclobutylmethyl)piperazin-1-yl]ethanol
CID 65462860
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
CID 107218340
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
CID 119931535
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol (CID 86323269) is 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(C[C@H]2CCCNC2)CC1.
What is the InChIKey of 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is GQGQRUAAJIJXFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N3O/c16-9-8-14-4-6-15(7-5-14)11-12-2-1-3-13-10-12/h12-13,16H,1-11H2/t12-/m0/s1.
What are the key properties of 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 227.35 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 86323269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).