1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane

C16H33N — CID 170620403

IUPAC1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane
SMILESC=C(C(C)C)C1CCN(CCCC)CC1.CC
InChIInChI=1S/C14H27N.C2H6/c1-5-6-9-15-10-7-14(8-11-15)13(4)12(2)3;1-2/h12,14H,4-11H2,1-3H3;1-2H3
InChIKeyJCUNULTXCUGGCZ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.74
Rot. Bonds5

About 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane

1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane (PubChem CID 170620403) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane.

Molecular Properties

Compound Name1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane
PubChem CID170620403
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane
SMILESC=C(C(C)C)C1CCN(CCCC)CC1.CC
InChIInChI=1S/C14H27N.C2H6/c1-5-6-9-15-10-7-14(8-11-15)13(4)12(2)3;1-2/h12,14H,4-11H2,1-3H3;1-2H3
InChIKeyJCUNULTXCUGGCZ-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
1-dodecyl-4-(1-nitrosoethenyl)piperidine
CID 58479421
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 54039617
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine
CID 177223957
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
1-octadecylpiperidine-4-carboxamide
CID 4134920

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane?
The IUPAC name of 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane (CID 170620403) is 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane.
What is the SMILES notation for 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane?
The canonical SMILES for 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane is C=C(C(C)C)C1CCN(CCCC)CC1.CC.
What is the InChIKey of 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane?
The InChIKey is JCUNULTXCUGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.C2H6/c1-5-6-9-15-10-7-14(8-11-15)13(4)12(2)3;1-2/h12,14H,4-11H2,1-3H3;1-2H3.
What are the key properties of 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane?
1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane has a molecular weight of 239.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane is sourced from PubChem (CID 170620403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).