4-(4,4-dimethylpent-2-ynyl)piperidine

C12H21N — CID 118333407

IUPAC4-(4,4-dimethylpent-2-ynyl)piperidine
SMILESCC(C)(C)C#CCC1CCNCC1
InChIInChI=1S/C12H21N/c1-12(2,3)8-4-5-11-6-9-13-10-7-11/h11,13H,5-7,9-10H2,1-3H3
InChIKeyRBDNVCHDVMOBJV-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.43
Rot. Bonds1

About 4-(4,4-dimethylpent-2-ynyl)piperidine

4-(4,4-dimethylpent-2-ynyl)piperidine (PubChem CID 118333407) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-(4,4-dimethylpent-2-ynyl)piperidine.

Molecular Properties

Compound Name4-(4,4-dimethylpent-2-ynyl)piperidine
PubChem CID118333407
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-(4,4-dimethylpent-2-ynyl)piperidine
SMILESCC(C)(C)C#CCC1CCNCC1
InChIInChI=1S/C12H21N/c1-12(2,3)8-4-5-11-6-9-13-10-7-11/h11,13H,5-7,9-10H2,1-3H3
InChIKeyRBDNVCHDVMOBJV-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-1-piperidin-4-ylpropan-2-amine
CID 84653930
4-(3-fluoro-3-methylbutyl)piperidine
CID 83816497
5,5-dimethyl-1-pyrrolidin-3-ylhex-3-yn-1-one
CID 130478991
4-(3-phenylprop-2-ynyl)piperidine
CID 68977737
carbon dioxide;4-propylpiperidine
CID 162153913
ethane;4-propylpiperidine
CID 142071399
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine
CID 67084457
4-prop-2-ynylazepane
CID 83261379
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
4-(2,2-dimethylpropoxymethyl)piperidine
CID 26188639

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpent-2-ynyl)piperidine?
The IUPAC name of 4-(4,4-dimethylpent-2-ynyl)piperidine (CID 118333407) is 4-(4,4-dimethylpent-2-ynyl)piperidine.
What is the SMILES notation for 4-(4,4-dimethylpent-2-ynyl)piperidine?
The canonical SMILES for 4-(4,4-dimethylpent-2-ynyl)piperidine is CC(C)(C)C#CCC1CCNCC1.
What is the InChIKey of 4-(4,4-dimethylpent-2-ynyl)piperidine?
The InChIKey is RBDNVCHDVMOBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2,3)8-4-5-11-6-9-13-10-7-11/h11,13H,5-7,9-10H2,1-3H3.
What are the key properties of 4-(4,4-dimethylpent-2-ynyl)piperidine?
4-(4,4-dimethylpent-2-ynyl)piperidine has a molecular weight of 179.31 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpent-2-ynyl)piperidine is sourced from PubChem (CID 118333407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).