4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid

C10H15NO3 — CID 66935458

IUPAC4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC#CCO)CC1
InChIInChI=1S/C10H15NO3/c12-8-2-1-3-9-4-6-11(7-5-9)10(13)14/h9,12H,3-8H2,(H,13,14)
InChIKeyKCSMTAKRRICFEF-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.76
Rot. Bonds1

About 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid

4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid (PubChem CID 66935458) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid
PubChem CID66935458
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC#CCO)CC1
InChIInChI=1S/C10H15NO3/c12-8-2-1-3-9-4-6-11(7-5-9)10(13)14/h9,12H,3-8H2,(H,13,14)
InChIKeyKCSMTAKRRICFEF-UHFFFAOYSA-N
XLogP0.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-(cyanomethyl)azepane-1-carboxylic acid
CID 67156015
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
4-(aminomethyl)azepane-1-carboxylic acid
CID 175902283
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
CID 87209791
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
4-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid
CID 141094505
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 66803087

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid (CID 66935458) is 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CC#CCO)CC1.
What is the InChIKey of 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid?
The InChIKey is KCSMTAKRRICFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-2-1-3-9-4-6-11(7-5-9)10(13)14/h9,12H,3-8H2,(H,13,14).
What are the key properties of 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid?
4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66935458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).