[2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol

C20H25N5O2S — CID 92597382

IUPAC[2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCOc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO
InChIInChI=1S/C20H25N5O2S/c1-27-18-7-6-15(10-17(18)14-26)11-24-8-2-4-16(12-24)13-25-22-20(21-23-25)19-5-3-9-28-19/h3,5-7,9-10,16,26H,2,4,8,11-14H2,1H3/t16-/m0/s1
InChIKeyJQYCNBUKEWPHIF-INIZCTEOSA-N
MW399.52 g/mol
LogP2.81
Rot. Bonds7

About [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol

[2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 92597382) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol
PubChem CID92597382
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name[2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCOc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO
InChIInChI=1S/C20H25N5O2S/c1-27-18-7-6-15(10-17(18)14-26)11-24-8-2-4-16(12-24)13-25-22-20(21-23-25)19-5-3-9-28-19/h3,5-7,9-10,16,26H,2,4,8,11-14H2,1H3/t16-/m0/s1
InChIKeyJQYCNBUKEWPHIF-INIZCTEOSA-N
XLogP2.81
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935314
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
[2-methoxy-5-[[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 92597374
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
5-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 99936698
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239
1-[[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26341215
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
CID 113235650
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol (CID 92597382) is [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol is COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO.
What is the InChIKey of [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is JQYCNBUKEWPHIF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-27-18-7-6-15(10-17(18)14-26)11-24-8-2-4-16(12-24)13-25-22-20(21-23-25)19-5-3-9-28-19/h3,5-7,9-10,16,26H,2,4,8,11-14H2,1H3/t16-/m0/s1.
What are the key properties of [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol?
[2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 399.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 92597382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).