(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine

C14H21N — CID 138970706

IUPAC(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine
SMILESC[C@H]1CCC(C)(C)[C@@H](c2ccccc2)N1
InChIInChI=1S/C14H21N/c1-11-9-10-14(2,3)13(15-11)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+/m0/s1
InChIKeyBKLWIBKKUTYRGJ-WCQYABFASA-N
MW203.33 g/mol
LogP3.53
Rot. Bonds1

About (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine

(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine (PubChem CID 138970706) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine
PubChem CID138970706
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine
SMILESC[C@H]1CCC(C)(C)[C@@H](c2ccccc2)N1
InChIInChI=1S/C14H21N/c1-11-9-10-14(2,3)13(15-11)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+/m0/s1
InChIKeyBKLWIBKKUTYRGJ-WCQYABFASA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine?
The IUPAC name of (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine (CID 138970706) is (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine.
What is the SMILES notation for (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine?
The canonical SMILES for (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine is C[C@H]1CCC(C)(C)[C@@H](c2ccccc2)N1.
What is the InChIKey of (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine?
The InChIKey is BKLWIBKKUTYRGJ-WCQYABFASA-N. The full InChI is InChI=1S/C14H21N/c1-11-9-10-14(2,3)13(15-11)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine?
(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine has a molecular weight of 203.33 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-3,3,6-trimethyl-2-phenylpiperidine is sourced from PubChem (CID 138970706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).