(2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine

C30H33N — CID 11361814

IUPAC(2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine
SMILESCN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12
InChIInChI=1S/C30H33N/c1-31-27(21-19-25-13-6-11-23-9-2-4-17-29(23)25)15-8-16-28(31)22-20-26-14-7-12-24-10-3-5-18-30(24)26/h2-7,9-14,17-18,27-28H,8,15-16,19-22H2,1H3/t27-,28+
InChIKeyWTCQCWGLSGOPNV-HNRBIFIRSA-N
MW407.60 g/mol
LogP7.41
Rot. Bonds6

About (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine

(2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine (PubChem CID 11361814) has the molecular formula C30H33N and a molecular weight of 407.60 g/mol. Its IUPAC name is (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine
PubChem CID11361814
Molecular FormulaC30H33N
Molecular Weight407.60 g/mol
Exact Mass407.26
IUPAC Name(2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine
SMILESCN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12
InChIInChI=1S/C30H33N/c1-31-27(21-19-25-13-6-11-23-9-2-4-17-29(23)25)15-8-16-28(31)22-20-26-14-7-12-24-10-3-5-18-30(24)26/h2-7,9-14,17-18,27-28H,8,15-16,19-22H2,1H3/t27-,28+
InChIKeyWTCQCWGLSGOPNV-HNRBIFIRSA-N
XLogP7.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine?
The IUPAC name of (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine (CID 11361814) is (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine.
What is the SMILES notation for (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine?
The canonical SMILES for (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine is CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12.
What is the InChIKey of (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine?
The InChIKey is WTCQCWGLSGOPNV-HNRBIFIRSA-N. The full InChI is InChI=1S/C30H33N/c1-31-27(21-19-25-13-6-11-23-9-2-4-17-29(23)25)15-8-16-28(31)22-20-26-14-7-12-24-10-3-5-18-30(24)26/h2-7,9-14,17-18,27-28H,8,15-16,19-22H2,1H3/t27-,28+.
What are the key properties of (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine?
(2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine has a molecular weight of 407.60 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-methyl-2,6-bis(2-naphthalen-1-ylethyl)piperidine is sourced from PubChem (CID 11361814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).