4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine

C15H23N — CID 170691582

IUPAC4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine
SMILESCC(C)C#CC#CC1CCN(C(C)C)CC1
InChIInChI=1S/C15H23N/c1-13(2)7-5-6-8-15-9-11-16(12-10-15)14(3)4/h13-15H,9-12H2,1-4H3
InChIKeyYJADCCFFGGQZQT-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.77
Rot. Bonds1

About 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine

4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine (PubChem CID 170691582) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine
PubChem CID170691582
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine
SMILESCC(C)C#CC#CC1CCN(C(C)C)CC1
InChIInChI=1S/C15H23N/c1-13(2)7-5-6-8-15-9-11-16(12-10-15)14(3)4/h13-15H,9-12H2,1-4H3
InChIKeyYJADCCFFGGQZQT-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine
CID 168980312
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
methane;1-propan-2-ylpiperidin-4-ol
CID 158347030
4-(3-methylbut-1-ynyl)-1-(trideuteriomethyl)piperidine
CID 176599610
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253
ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine
CID 154671858
(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
CID 58029510
4-bromo-1-propan-2-ylpiperidine
CID 67026231
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine (CID 170691582) is 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine is CC(C)C#CC#CC1CCN(C(C)C)CC1.
What is the InChIKey of 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine?
The InChIKey is YJADCCFFGGQZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13(2)7-5-6-8-15-9-11-16(12-10-15)14(3)4/h13-15H,9-12H2,1-4H3.
What are the key properties of 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine?
4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 170691582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).