1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine

C16H31FN2 — CID 134534586

IUPAC1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC/C=C(/F)C(C(C)CC)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H31FN2/c1-6-8-15(17)16(13(3)7-2)19-11-9-14(10-12-19)18(4)5/h8,13-14,16H,6-7,9-12H2,1-5H3/b15-8+
InChIKeyDWITZUMVKBACPT-OVCLIPMQSA-N
MW270.44 g/mol
LogP3.69
Rot. Bonds6

About 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine

1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 134534586) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID134534586
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC/C=C(/F)C(C(C)CC)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H31FN2/c1-6-8-15(17)16(13(3)7-2)19-11-9-14(10-12-19)18(4)5/h8,13-14,16H,6-7,9-12H2,1-5H3/b15-8+
InChIKeyDWITZUMVKBACPT-OVCLIPMQSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-isopropenyl-1-cyclohexen-1-yl)methyl]-N,1-dimethyl-4-piperidinamine
CID 6456299
4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine
CID 130216521
4-[(Z)-2-fluoroprop-1-enyl]-1-methylpiperidine
CID 131972841
4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine
CID 134365732
3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 156799121
1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 167025868
3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
CID 169145870
(3S,4R)-3-fluoro-1-methyl-4-[(E)-4-methylpent-1-enyl]piperidine
CID 169631877
6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
CID 170144576
3,3-Difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 170175583
5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
CID 131175822
2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile
CID 142851341

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine (CID 134534586) is 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine is CC/C=C(/F)C(C(C)CC)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is DWITZUMVKBACPT-OVCLIPMQSA-N. The full InChI is InChI=1S/C16H31FN2/c1-6-8-15(17)16(13(3)7-2)19-11-9-14(10-12-19)18(4)5/h8,13-14,16H,6-7,9-12H2,1-5H3/b15-8+.
What are the key properties of 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine?
1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 270.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 134534586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).