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

C17H26N2 — CID 7431925

IUPAC(2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
SMILESC=CC[C@@]1(Nc2ccccc2)C[C@@H](C)N(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/t14-,15-,17-/m1/s1
InChIKeyVNEVZWHHGRSVRH-BFYDXBDKSA-N
MW258.41 g/mol
LogP3.77
Rot. Bonds4

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

(2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine (PubChem CID 7431925) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
PubChem CID7431925
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
SMILESC=CC[C@@]1(Nc2ccccc2)C[C@@H](C)N(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/t14-,15-,17-/m1/s1
InChIKeyVNEVZWHHGRSVRH-BFYDXBDKSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
The IUPAC name of (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine (CID 7431925) is (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
The canonical SMILES for (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine is C=CC[C@@]1(Nc2ccccc2)C[C@@H](C)N(C)C[C@H]1C.
What is the InChIKey of (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
The InChIKey is VNEVZWHHGRSVRH-BFYDXBDKSA-N. 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/t14-,15-,17-/m1/s1.
What are the key properties of (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine?
(2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine has a molecular weight of 258.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 7431925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).