(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine

C19H30N2 — CID 796177

IUPAC(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine
SMILESC=CC[C@]1(NCCc2ccccc2)C[C@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C19H30N2/c1-5-12-19(14-17(3)21(4)15-16(19)2)20-13-11-18-9-7-6-8-10-18/h5-10,16-17,20H,1,11-15H2,2-4H3/t16-,17-,19-/m0/s1
InChIKeyHOFFNRHAINUGIB-LNLFQRSKSA-N
MW286.46 g/mol
LogP3.49
Rot. Bonds6

About (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine

(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine (PubChem CID 796177) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine
PubChem CID796177
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine
SMILESC=CC[C@]1(NCCc2ccccc2)C[C@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C19H30N2/c1-5-12-19(14-17(3)21(4)15-16(19)2)20-13-11-18-9-7-6-8-10-18/h5-10,16-17,20H,1,11-15H2,2-4H3/t16-,17-,19-/m0/s1
InChIKeyHOFFNRHAINUGIB-LNLFQRSKSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
CID 101017768
2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 7114868
2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile
CID 5105272
2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]acetonitrile
CID 7071083
2-[(2S,4R,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]acetonitrile
CID 6589491
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
(2R,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine
CID 7431930
(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine
CID 915263

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine?
The IUPAC name of (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine (CID 796177) is (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine?
The canonical SMILES for (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine is C=CC[C@]1(NCCc2ccccc2)C[C@H](C)N(C)C[C@@H]1C.
What is the InChIKey of (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine?
The InChIKey is HOFFNRHAINUGIB-LNLFQRSKSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-12-19(14-17(3)21(4)15-16(19)2)20-13-11-18-9-7-6-8-10-18/h5-10,16-17,20H,1,11-15H2,2-4H3/t16-,17-,19-/m0/s1.
What are the key properties of (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine?
(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine has a molecular weight of 286.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 796177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).