3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol

C15H24N2O2 — CID 66177195

IUPAC3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
SMILESOCC(O)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O2/c18-12-15(19)9-16-14-7-4-8-17(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,14-16,18-19H,4,7-12H2
InChIKeyGPTFFNUPXQYRGY-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.59
Rot. Bonds6

About 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol

3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol (PubChem CID 66177195) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
PubChem CID66177195
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
SMILESOCC(O)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O2/c18-12-15(19)9-16-14-7-4-8-17(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,14-16,18-19H,4,7-12H2
InChIKeyGPTFFNUPXQYRGY-UHFFFAOYSA-N
XLogP0.59
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
CID 64593174
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine
CID 63983866
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 65105573

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol (CID 66177195) is 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol is OCC(O)CNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol?
The InChIKey is GPTFFNUPXQYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-12-15(19)9-16-14-7-4-8-17(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,14-16,18-19H,4,7-12H2.
What are the key properties of 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol?
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol has a molecular weight of 264.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol is sourced from PubChem (CID 66177195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).