2-piperidin-4-ylpropane-1,3-diol

C8H17NO2 — CID 67197232

IUPAC2-piperidin-4-ylpropane-1,3-diol
SMILESOCC(CO)C1CCNCC1
InChIInChI=1S/C8H17NO2/c10-5-8(6-11)7-1-3-9-4-2-7/h7-11H,1-6H2
InChIKeyDDSSGKLNRTUEJD-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.41
Rot. Bonds3

About 2-piperidin-4-ylpropane-1,3-diol

2-piperidin-4-ylpropane-1,3-diol (PubChem CID 67197232) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-piperidin-4-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-piperidin-4-ylpropane-1,3-diol
PubChem CID67197232
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-piperidin-4-ylpropane-1,3-diol
SMILESOCC(CO)C1CCNCC1
InChIInChI=1S/C8H17NO2/c10-5-8(6-11)7-1-3-9-4-2-7/h7-11H,1-6H2
InChIKeyDDSSGKLNRTUEJD-UHFFFAOYSA-N
XLogP-0.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-piperidin-4-ylethanol
CID 55283997
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714
3,3,3-trifluoro-1-piperidin-4-ylpropan-1-ol
CID 83686081
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
tris(2-methylpropane);1-(oxetan-3-yl)piperazine;piperidine;2-piperidin-4-ylbutan-1-ol
CID 159375994
4-methyl-2-piperidin-4-ylpentan-1-amine
CID 54593202
N,N-dimethyl-2-piperidin-4-ylbutan-1-amine
CID 19965474
4-octan-4-ylpiperidine
CID 143122305
1-piperidin-4-ylpentan-1-ol
CID 19599407
cyclopentyl(piperidin-4-yl)methanol
CID 54333800
(2R)-4,4-dimethyl-2-piperidin-4-ylpentan-1-amine
CID 95241778

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropane-1,3-diol?
The IUPAC name of 2-piperidin-4-ylpropane-1,3-diol (CID 67197232) is 2-piperidin-4-ylpropane-1,3-diol.
What is the SMILES notation for 2-piperidin-4-ylpropane-1,3-diol?
The canonical SMILES for 2-piperidin-4-ylpropane-1,3-diol is OCC(CO)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropane-1,3-diol?
The InChIKey is DDSSGKLNRTUEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c10-5-8(6-11)7-1-3-9-4-2-7/h7-11H,1-6H2.
What are the key properties of 2-piperidin-4-ylpropane-1,3-diol?
2-piperidin-4-ylpropane-1,3-diol has a molecular weight of 159.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropane-1,3-diol is sourced from PubChem (CID 67197232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).