[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol

C14H17Cl2N5O — CID 154769882

IUPAC[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nnnn2Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N5O/c15-12-2-1-11(13(16)7-12)8-21-14(17-18-19-21)20-5-3-10(9-22)4-6-20/h1-2,7,10,22H,3-6,8-9H2
InChIKeyXPDKTYHYMORNTM-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.24
Rot. Bonds4

About [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol

[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol (PubChem CID 154769882) has the molecular formula C14H17Cl2N5O and a molecular weight of 342.23 g/mol. Its IUPAC name is [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol
PubChem CID154769882
Molecular FormulaC14H17Cl2N5O
Molecular Weight342.23 g/mol
Exact Mass341.08
IUPAC Name[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nnnn2Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N5O/c15-12-2-1-11(13(16)7-12)8-21-14(17-18-19-21)20-5-3-10(9-22)4-6-20/h1-2,7,10,22H,3-6,8-9H2
InChIKeyXPDKTYHYMORNTM-UHFFFAOYSA-N
XLogP2.24
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759507
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
[5-amino-5-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057986
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol (CID 154769882) is [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol is OCC1CCN(c2nnnn2Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is XPDKTYHYMORNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O/c15-12-2-1-11(13(16)7-12)8-21-14(17-18-19-21)20-5-3-10(9-22)4-6-20/h1-2,7,10,22H,3-6,8-9H2.
What are the key properties of [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol?
[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol has a molecular weight of 342.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 154769882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).