4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol

C12H21NO — CID 117265380

IUPAC4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol
SMILESCC(C)N1CCC(CC#CCO)CC1
InChIInChI=1S/C12H21NO/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-14/h11-12,14H,5-10H2,1-2H3
InChIKeyKOARSNCZQIYKQS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds2

About 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol

4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol (PubChem CID 117265380) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol.

Molecular Properties

Compound Name4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol
PubChem CID117265380
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol
SMILESCC(C)N1CCC(CC#CCO)CC1
InChIInChI=1S/C12H21NO/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-14/h11-12,14H,5-10H2,1-2H3
InChIKeyKOARSNCZQIYKQS-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
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

4-(1-propan-2-ylpiperidin-4-yl)but-2-ynal
CID 117265471
4-(3-isocyanatoprop-2-ynyl)-1-propan-2-ylpiperidine
CID 117264895
4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid
CID 66935458
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
1-[4-(1-propan-2-ylpyrrolidin-3-yl)but-2-ynyl]piperazine
CID 117269521
methyl 2-(1-propan-2-ylazepan-4-yl)acetate
CID 174154196
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 163560284
3-(1-propan-2-ylazepan-4-yl)propan-1-ol
CID 146561520
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol
CID 170952399

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol?
The IUPAC name of 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol (CID 117265380) is 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol.
What is the SMILES notation for 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol?
The canonical SMILES for 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol is CC(C)N1CCC(CC#CCO)CC1.
What is the InChIKey of 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol?
The InChIKey is KOARSNCZQIYKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-14/h11-12,14H,5-10H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol?
4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol is sourced from PubChem (CID 117265380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).