3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol

C15H24N2O2 — CID 168593426

IUPAC3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H24N2O2/c18-12-15(19)10-16-14-6-4-5-13(9-14)11-17-7-2-1-3-8-17/h4-6,9,15-16,18-19H,1-3,7-8,10-12H2
InChIKeyPQPBLNARVBYUEU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.44
Rot. Bonds6

About 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol

3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol (PubChem CID 168593426) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
PubChem CID168593426
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H24N2O2/c18-12-15(19)10-16-14-6-4-5-13(9-14)11-17-7-2-1-3-8-17/h4-6,9,15-16,18-19H,1-3,7-8,10-12H2
InChIKeyPQPBLNARVBYUEU-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
CID 168636923
N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
CID 70943120
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076
4-[[3-(piperidin-1-ylmethyl)anilino]methyl]benzoic acid
CID 122029517
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
CID 117339044
2-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117313419
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
methyl 2-[3-[[3-(piperidin-1-ylmethyl)anilino]methyl]phenyl]acetate
CID 91339483
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
1-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
CID 125164064

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol (CID 168593426) is 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol is OCC(O)CNc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol?
The InChIKey is PQPBLNARVBYUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-12-15(19)10-16-14-6-4-5-13(9-14)11-17-7-2-1-3-8-17/h4-6,9,15-16,18-19H,1-3,7-8,10-12H2.
What are the key properties of 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol?
3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol has a molecular weight of 264.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168593426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).