piperidin-1-ium-4-ol chloride

C5H12ClNO — CID 3014362

IUPACpiperidin-1-ium-4-ol chloride
SMILESOC1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H
InChIKeyVKCORPXOKYDINR-UHFFFAOYSA-N
MW137.61 g/mol
LogP-4.29
Rot. Bonds

About piperidin-1-ium-4-ol chloride

piperidin-1-ium-4-ol chloride (PubChem CID 3014362) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is piperidin-1-ium-4-ol chloride.

Molecular Properties

Compound Namepiperidin-1-ium-4-ol chloride
PubChem CID3014362
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Namepiperidin-1-ium-4-ol chloride
SMILESOC1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H
InChIKeyVKCORPXOKYDINR-UHFFFAOYSA-N
XLogP-4.29
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 5-4.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-Hydroxypiperidine
CID 23293
Piperidin-4-ol
CID 79341
(S)-3-Hydroxypiperidine
CID 6950221
Piperidine-3-ol hydrochloride
CID 2723962
4,4-Piperidinediol, hydrochloride
CID 11636836
3-Hydroxypiperidine, (R)-
CID 2759334
2,6-Dimethyl-piperidin-4-ol
CID 2762564
3,3-Dimethylpiperidin-4-ol
CID 21973736
(3R)-piperidin-3-ol hydrochloride
CID 2759333
4-Hydroxypiperidinium chloride
CID 16212499
3-Methylpiperidin-4-ol
CID 4713502
rac-(3R,4S)-3-methylpiperidin-4-ol
CID 7446786

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-4-ol chloride?
The IUPAC name of piperidin-1-ium-4-ol chloride (CID 3014362) is piperidin-1-ium-4-ol chloride.
What is the SMILES notation for piperidin-1-ium-4-ol chloride?
The canonical SMILES for piperidin-1-ium-4-ol chloride is OC1CC[NH2+]CC1.[Cl-].
What is the InChIKey of piperidin-1-ium-4-ol chloride?
The InChIKey is VKCORPXOKYDINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H.
What are the key properties of piperidin-1-ium-4-ol chloride?
piperidin-1-ium-4-ol chloride has a molecular weight of 137.61 g/mol, XLogP of -4.29, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-4-ol chloride is sourced from PubChem (CID 3014362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).