4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine

C14H19N5 — CID 3244608

IUPAC4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
SMILESCC1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C14H19N5/c1-11-6-8-19(9-7-11)10-12-2-4-13(5-3-12)14-15-17-18-16-14/h2-5,11H,6-10H2,1H3,(H,15,16,17,18)
InChIKeyCSWLMJBNXGRKMN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.10
Rot. Bonds3

About 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine

4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine (PubChem CID 3244608) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
PubChem CID3244608
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
SMILESCC1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C14H19N5/c1-11-6-8-19(9-7-11)10-12-2-4-13(5-3-12)14-15-17-18-16-14/h2-5,11H,6-10H2,1H3,(H,15,16,17,18)
InChIKeyCSWLMJBNXGRKMN-UHFFFAOYSA-N
XLogP2.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
pyridin-2-yl-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]methanol
CID 77082634
[(1S,2S)-2-methylcyclopropyl]-[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 166314413
(2S,4R)-2-ethyl-9-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154819030
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine
CID 108775540
4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 69047856
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine (CID 3244608) is 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine is CC1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
The InChIKey is CSWLMJBNXGRKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-6-8-19(9-7-11)10-12-2-4-13(5-3-12)14-15-17-18-16-14/h2-5,11H,6-10H2,1H3,(H,15,16,17,18).
What are the key properties of 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine?
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine has a molecular weight of 257.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 3244608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).