1-methyl-4-pent-2-en-2-yl-4-propylpiperidine

C14H27N — CID 143674679

IUPAC1-methyl-4-pent-2-en-2-yl-4-propylpiperidine
SMILESCCC=C(C)C1(CCC)CCN(C)CC1
InChIInChI=1S/C14H27N/c1-5-7-13(3)14(8-6-2)9-11-15(4)12-10-14/h7H,5-6,8-12H2,1-4H3
InChIKeyUXHKDBVZTJIYLG-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.85
Rot. Bonds4

About 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine

1-methyl-4-pent-2-en-2-yl-4-propylpiperidine (PubChem CID 143674679) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine.

Molecular Properties

Compound Name1-methyl-4-pent-2-en-2-yl-4-propylpiperidine
PubChem CID143674679
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-methyl-4-pent-2-en-2-yl-4-propylpiperidine
SMILESCCC=C(C)C1(CCC)CCN(C)CC1
InChIInChI=1S/C14H27N/c1-5-7-13(3)14(8-6-2)9-11-15(4)12-10-14/h7H,5-6,8-12H2,1-4H3
InChIKeyUXHKDBVZTJIYLG-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine?
The IUPAC name of 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine (CID 143674679) is 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine.
What is the SMILES notation for 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine?
The canonical SMILES for 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine is CCC=C(C)C1(CCC)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine?
The InChIKey is UXHKDBVZTJIYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-13(3)14(8-6-2)9-11-15(4)12-10-14/h7H,5-6,8-12H2,1-4H3.
What are the key properties of 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine?
1-methyl-4-pent-2-en-2-yl-4-propylpiperidine has a molecular weight of 209.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pent-2-en-2-yl-4-propylpiperidine is sourced from PubChem (CID 143674679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).