2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine

C18H28N2O2 — CID 117489930

IUPAC2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)ccc1OC1CCN(C)C1
InChIInChI=1S/C18H28N2O2/c1-20-10-8-16(13-20)22-17-7-6-14(12-18(17)21-2)11-15-5-3-4-9-19-15/h6-7,12,15-16,19H,3-5,8-11,13H2,1-2H3
InChIKeyZZLBAVRPPGUUMV-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.46
Rot. Bonds5

About 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine

2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine (PubChem CID 117489930) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
PubChem CID117489930
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)ccc1OC1CCN(C)C1
InChIInChI=1S/C18H28N2O2/c1-20-10-8-16(13-20)22-17-7-6-14(12-18(17)21-2)11-15-5-3-4-9-19-15/h6-7,12,15-16,19H,3-5,8-11,13H2,1-2H3
InChIKeyZZLBAVRPPGUUMV-UHFFFAOYSA-N
XLogP2.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
CID 117442925
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444677

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine?
The IUPAC name of 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine (CID 117489930) is 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine.
What is the SMILES notation for 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine?
The canonical SMILES for 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine is COc1cc(CC2CCCCN2)ccc1OC1CCN(C)C1.
What is the InChIKey of 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine?
The InChIKey is ZZLBAVRPPGUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-10-8-16(13-20)22-17-7-6-14(12-18(17)21-2)11-15-5-3-4-9-19-15/h6-7,12,15-16,19H,3-5,8-11,13H2,1-2H3.
What are the key properties of 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine?
2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine has a molecular weight of 304.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine is sourced from PubChem (CID 117489930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).