1-methanidylpiperidin-3-ol

C6H12NO- — CID 21055095

IUPAC1-methanidylpiperidin-3-ol
SMILES[CH2-]N1CCCC(O)C1
InChIInChI=1S/C6H12NO/c1-7-4-2-3-6(8)5-7/h6,8H,1-5H2/q-1
InChIKeyFWHCSURFBZELBQ-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.23
Rot. Bonds

About 1-methanidylpiperidin-3-ol

1-methanidylpiperidin-3-ol (PubChem CID 21055095) has the molecular formula C6H12NO- and a molecular weight of 114.17 g/mol. Its IUPAC name is 1-methanidylpiperidin-3-ol.

Molecular Properties

Compound Name1-methanidylpiperidin-3-ol
PubChem CID21055095
Molecular FormulaC6H12NO-
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name1-methanidylpiperidin-3-ol
SMILES[CH2-]N1CCCC(O)C1
InChIInChI=1S/C6H12NO/c1-7-4-2-3-6(8)5-7/h6,8H,1-5H2/q-1
InChIKeyFWHCSURFBZELBQ-UHFFFAOYSA-N
XLogP0.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-Piperidinol, 1-methyl-
CID 98016
N-Piperidinoethanol
CID 18232
4-Piperidinol, 1-methyl-
CID 66048
3-Hydroxypiperidine
CID 23293
1-Ethyl-3-piperidinol
CID 114524
1-Ethylpiperidin-4-ol
CID 77056
alpha-Methyl-1-piperidineethanol
CID 233605
(S)-3-Hydroxypiperidine
CID 6950221
3-Hydroxypiperidine, (R)-
CID 2759334
Sodium (3-hydroxypiperidine-1-carbothioyl)sulfanide
CID 71677604
(2S)-1-(piperidin-1-yl)propan-2-ol
CID 735921
1-(2-Hydroxyethyl)piperidin-3-ol
CID 12281023

Frequently Asked Questions

What is the IUPAC name of 1-methanidylpiperidin-3-ol?
The IUPAC name of 1-methanidylpiperidin-3-ol (CID 21055095) is 1-methanidylpiperidin-3-ol.
What is the SMILES notation for 1-methanidylpiperidin-3-ol?
The canonical SMILES for 1-methanidylpiperidin-3-ol is [CH2-]N1CCCC(O)C1.
What is the InChIKey of 1-methanidylpiperidin-3-ol?
The InChIKey is FWHCSURFBZELBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO/c1-7-4-2-3-6(8)5-7/h6,8H,1-5H2/q-1.
What are the key properties of 1-methanidylpiperidin-3-ol?
1-methanidylpiperidin-3-ol has a molecular weight of 114.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidylpiperidin-3-ol is sourced from PubChem (CID 21055095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).