prop-1-ene;1,4,4-trimethylpiperidine

C11H23N — CID 142009655

IUPACprop-1-ene;1,4,4-trimethylpiperidine
SMILESC=CC.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C3H6/c1-8(2)4-6-9(3)7-5-8;1-3-2/h4-7H2,1-3H3;3H,1H2,2H3
InChIKeyFHSOHKFTETWWEV-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.93
Rot. Bonds

About prop-1-ene;1,4,4-trimethylpiperidine

prop-1-ene;1,4,4-trimethylpiperidine (PubChem CID 142009655) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is prop-1-ene;1,4,4-trimethylpiperidine.

Molecular Properties

Compound Nameprop-1-ene;1,4,4-trimethylpiperidine
PubChem CID142009655
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameprop-1-ene;1,4,4-trimethylpiperidine
SMILESC=CC.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C3H6/c1-8(2)4-6-9(3)7-5-8;1-3-2/h4-7H2,1-3H3;3H,1H2,2H3
InChIKeyFHSOHKFTETWWEV-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.93
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-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine
CID 121440822
3-Fluoro-4-methyl-1-prop-2-enylpiperidine
CID 131089132
3-Methyl-1-prop-2-enylpiperidine
CID 11240525
3-But-3-enyl-1,3-dimethylpiperidine
CID 14225211
N,N,2-trimethyl-2-(1-prop-2-enylpiperidin-4-yl)propan-1-amine
CID 15294375
4,4-Dimethyl-1-prop-2-enylpiperidine
CID 18722910
4-Propan-2-yl-1-prop-2-enylpiperidine
CID 20811791
4-Allyl-1-methyl-piperidine
CID 22982716
4-Methyl-1-prop-2-enylpiperidine
CID 52139440
(3S)-3-methyl-1-prop-2-enylpiperidine
CID 52139749
1-But-2-enyl-4-methylpiperidine
CID 54386399
1-Prop-2-enyl-4-propylpiperidine
CID 57640234

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;1,4,4-trimethylpiperidine?
The IUPAC name of prop-1-ene;1,4,4-trimethylpiperidine (CID 142009655) is prop-1-ene;1,4,4-trimethylpiperidine.
What is the SMILES notation for prop-1-ene;1,4,4-trimethylpiperidine?
The canonical SMILES for prop-1-ene;1,4,4-trimethylpiperidine is C=CC.CN1CCC(C)(C)CC1.
What is the InChIKey of prop-1-ene;1,4,4-trimethylpiperidine?
The InChIKey is FHSOHKFTETWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C3H6/c1-8(2)4-6-9(3)7-5-8;1-3-2/h4-7H2,1-3H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;1,4,4-trimethylpiperidine?
prop-1-ene;1,4,4-trimethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;1,4,4-trimethylpiperidine is sourced from PubChem (CID 142009655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).