(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine

C17H27N2+ — CID 7431930

IUPAC(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine
SMILESC=CC[C@]1(Nc2ccccc2)C[C@@H](C)[NH+](C)C[C@H]1C
InChIInChI=1S/C17H26N2/c1-5-11-17(18-16-9-7-6-8-10-16)12-15(3)19(4)13-14(17)2/h5-10,14-15,18H,1,11-13H2,2-4H3/p+1/t14-,15-,17+/m1/s1
InChIKeyVNEVZWHHGRSVRH-INMHGKMJSA-O
MW259.42 g/mol
LogP2.36
Rot. Bonds4

About (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine

(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine (PubChem CID 7431930) has the molecular formula C17H27N2+ and a molecular weight of 259.42 g/mol. Its IUPAC name is (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine.

Molecular Properties

Compound Name(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine
PubChem CID7431930
Molecular FormulaC17H27N2+
Molecular Weight259.42 g/mol
Exact Mass259.22
IUPAC Name(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine
SMILESC=CC[C@]1(Nc2ccccc2)C[C@@H](C)[NH+](C)C[C@H]1C
InChIInChI=1S/C17H26N2/c1-5-11-17(18-16-9-7-6-8-10-16)12-15(3)19(4)13-14(17)2/h5-10,14-15,18H,1,11-13H2,2-4H3/p+1/t14-,15-,17+/m1/s1
InChIKeyVNEVZWHHGRSVRH-INMHGKMJSA-O
XLogP2.36
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-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

(2S,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 7431935
(2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 7431925
1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 3279873
oxalic acid;1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 16682350
N-(1-prop-2-enylcyclohexyl)aniline
CID 599883
(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine
CID 796177
(1-anilino-2,4,4-trimethylcyclohexyl)methanol
CID 81313938
2-[(2S,4S,5R)-4-benzyl-1,2,5-trimethylpiperidin-1-ium-4-yl]acetonitrile
CID 2055289
[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl] benzoate
CID 7071864
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
(2-anilino-1,3-dihydroinden-2-yl)methanol
CID 61047339

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine?
The IUPAC name of (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine (CID 7431930) is (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine.
What is the SMILES notation for (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine?
The canonical SMILES for (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine is C=CC[C@]1(Nc2ccccc2)C[C@@H](C)[NH+](C)C[C@H]1C.
What is the InChIKey of (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine?
The InChIKey is VNEVZWHHGRSVRH-INMHGKMJSA-O. The full InChI is InChI=1S/C17H26N2/c1-5-11-17(18-16-9-7-6-8-10-16)12-15(3)19(4)13-14(17)2/h5-10,14-15,18H,1,11-13H2,2-4H3/p+1/t14-,15-,17+/m1/s1.
What are the key properties of (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine?
(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine has a molecular weight of 259.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine is sourced from PubChem (CID 7431930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).