3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine

C22H30N2O — CID 141127125

IUPAC3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine
SMILESCc1cc(OCCCN2CCC[C@H](C)C2)ccc1-c1ncccc1C
InChIInChI=1S/C22H30N2O/c1-17-7-5-12-24(16-17)13-6-14-25-20-9-10-21(19(3)15-20)22-18(2)8-4-11-23-22/h4,8-11,15,17H,5-7,12-14,16H2,1-3H3/t17-/m0/s1
InChIKeyUADTVFLFCCDOTR-KRWDZBQOSA-N
MW338.50 g/mol
LogP4.87
Rot. Bonds6

About 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine

3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine (PubChem CID 141127125) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine
PubChem CID141127125
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine
SMILESCc1cc(OCCCN2CCC[C@H](C)C2)ccc1-c1ncccc1C
InChIInChI=1S/C22H30N2O/c1-17-7-5-12-24(16-17)13-6-14-25-20-9-10-21(19(3)15-20)22-18(2)8-4-11-23-22/h4,8-11,15,17H,5-7,12-14,16H2,1-3H3/t17-/m0/s1
InChIKeyUADTVFLFCCDOTR-KRWDZBQOSA-N
XLogP4.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.87
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

(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidine
CID 2935046
1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
CID 2935991
3-methyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 11494881
1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67281880
2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
CID 11524620
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681284
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
4-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-oxidopyridin-1-ium
CID 23150293

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine?
The IUPAC name of 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine (CID 141127125) is 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine.
What is the SMILES notation for 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine?
The canonical SMILES for 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine is Cc1cc(OCCCN2CCC[C@H](C)C2)ccc1-c1ncccc1C.
What is the InChIKey of 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine?
The InChIKey is UADTVFLFCCDOTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N2O/c1-17-7-5-12-24(16-17)13-6-14-25-20-9-10-21(19(3)15-20)22-18(2)8-4-11-23-22/h4,8-11,15,17H,5-7,12-14,16H2,1-3H3/t17-/m0/s1.
What are the key properties of 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine?
3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine has a molecular weight of 338.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine is sourced from PubChem (CID 141127125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).