(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine

C19H31NO — CID 2181589

IUPAC(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
SMILESCc1cc(C)c(C)c(OCCCN2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H31NO/c1-14-10-17(4)18(5)19(11-14)21-8-6-7-20-12-15(2)9-16(3)13-20/h10-11,15-16H,6-9,12-13H2,1-5H3/t15-,16+
InChIKeyDVZQUIYMGRAYFF-IYBDPMFKSA-N
MW289.46 g/mol
LogP4.36
Rot. Bonds5

About (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine

(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine (PubChem CID 2181589) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
PubChem CID2181589
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
SMILESCc1cc(C)c(C)c(OCCCN2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H31NO/c1-14-10-17(4)18(5)19(11-14)21-8-6-7-20-12-15(2)9-16(3)13-20/h10-11,15-16H,6-9,12-13H2,1-5H3/t15-,16+
InChIKeyDVZQUIYMGRAYFF-IYBDPMFKSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
The IUPAC name of (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine (CID 2181589) is (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
The canonical SMILES for (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine is Cc1cc(C)c(C)c(OCCCN2C[C@H](C)C[C@H](C)C2)c1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
The InChIKey is DVZQUIYMGRAYFF-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-10-17(4)18(5)19(11-14)21-8-6-7-20-12-15(2)9-16(3)13-20/h10-11,15-16H,6-9,12-13H2,1-5H3/t15-,16+.
What are the key properties of (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine?
(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine is sourced from PubChem (CID 2181589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).