4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine

C17H25N5O2 — CID 124621758

IUPAC4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
SMILESCOc1ccccc1COC1CCN([C@@H](C)c2nnnn2C)CC1
InChIInChI=1S/C17H25N5O2/c1-13(17-18-19-20-21(17)2)22-10-8-15(9-11-22)24-12-14-6-4-5-7-16(14)23-3/h4-7,13,15H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyAAIBEHWGCZYSBI-ZDUSSCGKSA-N
MW331.42 g/mol
LogP1.96
Rot. Bonds6

About 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine

4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine (PubChem CID 124621758) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
PubChem CID124621758
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
SMILESCOc1ccccc1COC1CCN([C@@H](C)c2nnnn2C)CC1
InChIInChI=1S/C17H25N5O2/c1-13(17-18-19-20-21(17)2)22-10-8-15(9-11-22)24-12-14-6-4-5-7-16(14)23-3/h4-7,13,15H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyAAIBEHWGCZYSBI-ZDUSSCGKSA-N
XLogP1.96
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-[(2-chlorophenoxy)methyl]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 99790678
4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
CID 87022114
4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one
CID 138038465
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572862
2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine
CID 146124952
N-[(1R)-1-cyclobutylethyl]-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 97160902
N-(1-cyclobutylethyl)-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 84593996
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674625
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine?
The IUPAC name of 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine (CID 124621758) is 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine?
The canonical SMILES for 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine is COc1ccccc1COC1CCN([C@@H](C)c2nnnn2C)CC1.
What is the InChIKey of 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine?
The InChIKey is AAIBEHWGCZYSBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13(17-18-19-20-21(17)2)22-10-8-15(9-11-22)24-12-14-6-4-5-7-16(14)23-3/h4-7,13,15H,8-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine?
4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine has a molecular weight of 331.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 124621758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).