1-but-3-ynyl-4-methylpiperidin-4-ol

C10H17NO — CID 114286616

IUPAC1-but-3-ynyl-4-methylpiperidin-4-ol
SMILESC#CCCN1CCC(C)(O)CC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11-8-5-10(2,12)6-9-11/h1,12H,4-9H2,2H3
InChIKeyGWCFPDBRCFARKD-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.86
Rot. Bonds2

About 1-but-3-ynyl-4-methylpiperidin-4-ol

1-but-3-ynyl-4-methylpiperidin-4-ol (PubChem CID 114286616) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-but-3-ynyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-but-3-ynyl-4-methylpiperidin-4-ol
PubChem CID114286616
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-but-3-ynyl-4-methylpiperidin-4-ol
SMILESC#CCCN1CCC(C)(O)CC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11-8-5-10(2,12)6-9-11/h1,12H,4-9H2,2H3
InChIKeyGWCFPDBRCFARKD-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dimethylpiperidin-4-ol
CID 2776094
4-Ethynyl-1-methylpiperidin-4-ol
CID 1419099
2-Methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol
CID 692210
4-Ethynyl-1,2,6-trimethyl-piperidin-4-ol
CID 6603121
4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, hydrochloride
CID 3064939
4-Hexyn-3-ol, 3-methyl-6-piperidino-
CID 177137
3-Pentyn-2-ol, 2-methyl-5-(1-piperidinyl)-
CID 180676
3-Ethyl-6-(1-piperidinyl)-4-hexyn-3-ol
CID 770249
4-(3-Hydroxy-3-methylbut-1-ynyl)-1-methylpiperidin-4-ol
CID 12229736
4-[2-(4-Hydroxy-1-methylpiperidin-4-yl)ethynyl]-1-methylpiperidin-4-ol
CID 12282966
4-Ethynyl-1,3,5-trimethylpiperidin-4-ol
CID 3541211
1-Tert-butyl-4-ethynyl-3-methylpiperidin-4-ol
CID 4254918

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-but-3-ynyl-4-methylpiperidin-4-ol (CID 114286616) is 1-but-3-ynyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-but-3-ynyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-but-3-ynyl-4-methylpiperidin-4-ol is C#CCCN1CCC(C)(O)CC1.
What is the InChIKey of 1-but-3-ynyl-4-methylpiperidin-4-ol?
The InChIKey is GWCFPDBRCFARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-7-11-8-5-10(2,12)6-9-11/h1,12H,4-9H2,2H3.
What are the key properties of 1-but-3-ynyl-4-methylpiperidin-4-ol?
1-but-3-ynyl-4-methylpiperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 114286616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).