4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid

C19H29N5O3 — CID 144957671

IUPAC4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
SMILESCCCC(Cc1nn[nH]n1)C(=O)O.Cc1ccc(C2CCNCC2O)cc1
InChIInChI=1S/C12H17NO.C7H12N4O2/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6/h2-5,11-14H,6-8H2,1H3;5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11)
InChIKeyXJJFDIUMBOYVBO-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.68
Rot. Bonds6

About 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid

4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid (PubChem CID 144957671) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
PubChem CID144957671
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
SMILESCCCC(Cc1nn[nH]n1)C(=O)O.Cc1ccc(C2CCNCC2O)cc1
InChIInChI=1S/C12H17NO.C7H12N4O2/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6/h2-5,11-14H,6-8H2,1H3;5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11)
InChIKeyXJJFDIUMBOYVBO-UHFFFAOYSA-N
XLogP1.68
TPSA124.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The IUPAC name of 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid (CID 144957671) is 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid.
What is the SMILES notation for 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The canonical SMILES for 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid is CCCC(Cc1nn[nH]n1)C(=O)O.Cc1ccc(C2CCNCC2O)cc1.
What is the InChIKey of 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The InChIKey is XJJFDIUMBOYVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C7H12N4O2/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6/h2-5,11-14H,6-8H2,1H3;5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11).
What are the key properties of 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid has a molecular weight of 375.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid is sourced from PubChem (CID 144957671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).