3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine

C23H31NO — CID 91162955

IUPAC3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
SMILESCc1ccc(-c2ccc(OCCCN3CCCC(C)(C)C3)cc2)cc1
InChIInChI=1S/C23H31NO/c1-19-6-8-20(9-7-19)21-10-12-22(13-11-21)25-17-5-16-24-15-4-14-23(2,3)18-24/h6-13H,4-5,14-18H2,1-3H3
InChIKeyFFTRTWZWUCUYOM-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.55
Rot. Bonds6

About 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine

3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine (PubChem CID 91162955) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
PubChem CID91162955
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
SMILESCc1ccc(-c2ccc(OCCCN3CCCC(C)(C)C3)cc2)cc1
InChIInChI=1S/C23H31NO/c1-19-6-8-20(9-7-19)21-10-12-22(13-11-21)25-17-5-16-24-15-4-14-23(2,3)18-24/h6-13H,4-5,14-18H2,1-3H3
InChIKeyFFTRTWZWUCUYOM-UHFFFAOYSA-N
XLogP5.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.55
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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Related Compounds

3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093
1-[1-(2,3-dimethylphenyl)ethenyl]-4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]piperazine
CID 142884634
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
2-methylpropyl 4-[4-[3-(3,3-dimethylpiperidin-1-yl)propoxy]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 69128974
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
The IUPAC name of 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine (CID 91162955) is 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
The canonical SMILES for 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine is Cc1ccc(-c2ccc(OCCCN3CCCC(C)(C)C3)cc2)cc1.
What is the InChIKey of 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
The InChIKey is FFTRTWZWUCUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-19-6-8-20(9-7-19)21-10-12-22(13-11-21)25-17-5-16-24-15-4-14-23(2,3)18-24/h6-13H,4-5,14-18H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine has a molecular weight of 337.51 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 91162955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).