piperidin-3-ylmethanediol

C6H13NO2 — CID 5231808

IUPACpiperidin-3-ylmethanediol
SMILESOC(O)C1CCCNC1
InChIInChI=1S/C6H13NO2/c8-6(9)5-2-1-3-7-4-5/h5-9H,1-4H2
InChIKeyHYYPHXHEQHIIRC-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.70
Rot. Bonds1

About piperidin-3-ylmethanediol

piperidin-3-ylmethanediol (PubChem CID 5231808) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is piperidin-3-ylmethanediol.

Molecular Properties

Compound Namepiperidin-3-ylmethanediol
PubChem CID5231808
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namepiperidin-3-ylmethanediol
SMILESOC(O)C1CCCNC1
InChIInChI=1S/C6H13NO2/c8-6(9)5-2-1-3-7-4-5/h5-9H,1-4H2
InChIKeyHYYPHXHEQHIIRC-UHFFFAOYSA-N
XLogP-0.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl(piperidin-3-yl)methanol
CID 80560291
(1R)-2-cyclopropyl-1-[(3S)-piperidin-3-yl]ethanol
CID 124570391
oxan-3-yl(piperidin-3-yl)methanol
CID 107135650
2-cyclobutyl-1-piperidin-3-ylethanol
CID 105440851
3-amino-1-piperidin-3-ylpropan-1-ol
CID 82596067
ethoxy-[(3R)-piperidin-3-yl]methanol
CID 143093880
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
cyclopropyl-[(3R)-piperidin-3-yl]methanamine
CID 70133311
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
3-[cyclobutyl(fluoro)methyl]piperidine;hydrochloride
CID 115058477
5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethanediol?
The IUPAC name of piperidin-3-ylmethanediol (CID 5231808) is piperidin-3-ylmethanediol.
What is the SMILES notation for piperidin-3-ylmethanediol?
The canonical SMILES for piperidin-3-ylmethanediol is OC(O)C1CCCNC1.
What is the InChIKey of piperidin-3-ylmethanediol?
The InChIKey is HYYPHXHEQHIIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-6(9)5-2-1-3-7-4-5/h5-9H,1-4H2.
What are the key properties of piperidin-3-ylmethanediol?
piperidin-3-ylmethanediol has a molecular weight of 131.18 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethanediol is sourced from PubChem (CID 5231808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).