1-pent-4-ynyl-4-propan-2-ylpiperidine

C13H23N — CID 103878594

IUPAC1-pent-4-ynyl-4-propan-2-ylpiperidine
SMILESC#CCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C13H23N/c1-4-5-6-9-14-10-7-13(8-11-14)12(2)3/h1,12-13H,5-11H2,2-3H3
InChIKeyUKHWNJIJNLSHOC-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.77
Rot. Bonds4

About 1-pent-4-ynyl-4-propan-2-ylpiperidine

1-pent-4-ynyl-4-propan-2-ylpiperidine (PubChem CID 103878594) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-pent-4-ynyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-pent-4-ynyl-4-propan-2-ylpiperidine
PubChem CID103878594
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-pent-4-ynyl-4-propan-2-ylpiperidine
SMILESC#CCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C13H23N/c1-4-5-6-9-14-10-7-13(8-11-14)12(2)3/h1,12-13H,5-11H2,2-3H3
InChIKeyUKHWNJIJNLSHOC-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 176666593
4-methoxy-1-pent-4-ynylpiperidine
CID 115872590
1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
1-pent-4-ynylpyrrolidine
CID 82363312
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-methyl-4-pent-4-ynylpiperazine
CID 23446116
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-pent-4-ynyl-4-propan-2-ylpiperidine (CID 103878594) is 1-pent-4-ynyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-pent-4-ynyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-pent-4-ynyl-4-propan-2-ylpiperidine is C#CCCCN1CCC(C(C)C)CC1.
What is the InChIKey of 1-pent-4-ynyl-4-propan-2-ylpiperidine?
The InChIKey is UKHWNJIJNLSHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-5-6-9-14-10-7-13(8-11-14)12(2)3/h1,12-13H,5-11H2,2-3H3.
What are the key properties of 1-pent-4-ynyl-4-propan-2-ylpiperidine?
1-pent-4-ynyl-4-propan-2-ylpiperidine has a molecular weight of 193.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 103878594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).