(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine

C18H29N — CID 46937121

IUPAC(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
SMILESC[C@H](C[C@@H]1CCCCN1C)C[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1
InChIKeyUEEAJOUBQAEABH-JZXOWHBKSA-N
MW259.44 g/mol
LogP4.69
Rot. Bonds5

About (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine

(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine (PubChem CID 46937121) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
PubChem CID46937121
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
SMILESC[C@H](C[C@@H]1CCCCN1C)C[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1
InChIKeyUEEAJOUBQAEABH-JZXOWHBKSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine?
The IUPAC name of (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine (CID 46937121) is (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine.
What is the SMILES notation for (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine?
The canonical SMILES for (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine is C[C@H](C[C@@H]1CCCCN1C)C[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine?
The InChIKey is UEEAJOUBQAEABH-JZXOWHBKSA-N. The full InChI is InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine?
(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine has a molecular weight of 259.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine is sourced from PubChem (CID 46937121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).