(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine

C18H29NO2 — CID 2184451

IUPAC(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
SMILESCCOc1ccc(OCCCN2C[C@@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-4-20-17-6-8-18(9-7-17)21-11-5-10-19-13-15(2)12-16(3)14-19/h6-9,15-16H,4-5,10-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyCBACYGAANQKZQR-HOTGVXAUSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds7

About (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine

(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine (PubChem CID 2184451) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
PubChem CID2184451
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
SMILESCCOc1ccc(OCCCN2C[C@@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-4-20-17-6-8-18(9-7-17)21-11-5-10-19-13-15(2)12-16(3)14-19/h6-9,15-16H,4-5,10-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyCBACYGAANQKZQR-HOTGVXAUSA-N
XLogP3.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
CID 23150286
methyl 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzoate
CID 23150262
1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
(5S)-1-[3-[4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]propyl]-3,5-dimethylpiperidine
CID 69108440
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934641
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine (CID 2184451) is (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine is CCOc1ccc(OCCCN2C[C@@H](C)C[C@H](C)C2)cc1.
What is the InChIKey of (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine?
The InChIKey is CBACYGAANQKZQR-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-20-17-6-8-18(9-7-17)21-11-5-10-19-13-15(2)12-16(3)14-19/h6-9,15-16H,4-5,10-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine?
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 2184451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).