1-piperidin-1-ium-2-ylpropan-1-ol

C8H18NO+ — CID 25200349

IUPAC1-piperidin-1-ium-2-ylpropan-1-ol
SMILESCCC(O)C1CCCC[NH2+]1
InChIInChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3/p+1
InChIKeyVCCAAURNBULZRR-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.13
Rot. Bonds2

About 1-piperidin-1-ium-2-ylpropan-1-ol

1-piperidin-1-ium-2-ylpropan-1-ol (PubChem CID 25200349) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-piperidin-1-ium-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-piperidin-1-ium-2-ylpropan-1-ol
PubChem CID25200349
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name1-piperidin-1-ium-2-ylpropan-1-ol
SMILESCCC(O)C1CCCC[NH2+]1
InChIInChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3/p+1
InChIKeyVCCAAURNBULZRR-UHFFFAOYSA-O
XLogP-0.13
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Piperidin-2-yl)propan-1-ol
CID 10314
1-[(2-Hydroxyethyl)amino]-2-dodecanol
CID 10988562
Piperidin-2-ylmethanol
CID 94263
(+)-5-Deoxyadeenophorine
CID 10559165
(2s,3r)-2-(Hydroxymethyl)piperidin-3-ol
CID 14659558
Sedridine
CID 164633
1-(Cyclohexylamino)hexadecan-2-ol
CID 10337278
(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
CID 11988371
1-(Propan-2-ylamino)hexadecan-2-ol
CID 20261248
(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol
CID 46866608
alpha-1-C-ethyl-fagomine
CID 10329822
(3S,6S)-6-Propyl-3-piperidinol
CID 120641

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ium-2-ylpropan-1-ol?
The IUPAC name of 1-piperidin-1-ium-2-ylpropan-1-ol (CID 25200349) is 1-piperidin-1-ium-2-ylpropan-1-ol.
What is the SMILES notation for 1-piperidin-1-ium-2-ylpropan-1-ol?
The canonical SMILES for 1-piperidin-1-ium-2-ylpropan-1-ol is CCC(O)C1CCCC[NH2+]1.
What is the InChIKey of 1-piperidin-1-ium-2-ylpropan-1-ol?
The InChIKey is VCCAAURNBULZRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3/p+1.
What are the key properties of 1-piperidin-1-ium-2-ylpropan-1-ol?
1-piperidin-1-ium-2-ylpropan-1-ol has a molecular weight of 144.24 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ium-2-ylpropan-1-ol is sourced from PubChem (CID 25200349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).