4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine

C17H25N5O — CID 86831886

IUPAC4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
SMILESCCCn1nnnc1CN1CCC(COc2ccccc2)CC1
InChIInChI=1S/C17H25N5O/c1-2-10-22-17(18-19-20-22)13-21-11-8-15(9-12-21)14-23-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyQMDUQCDQKGHPOZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.37
Rot. Bonds7

About 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine

4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine (PubChem CID 86831886) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
PubChem CID86831886
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
SMILESCCCn1nnnc1CN1CCC(COc2ccccc2)CC1
InChIInChI=1S/C17H25N5O/c1-2-10-22-17(18-19-20-22)13-21-11-8-15(9-12-21)14-23-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyQMDUQCDQKGHPOZ-UHFFFAOYSA-N
XLogP2.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 60502223
N-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 33107610
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56785941
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55174124
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871
1-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 43090479
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1454747
3-[(1-propyltetrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490223
1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The IUPAC name of 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine (CID 86831886) is 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The canonical SMILES for 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine is CCCn1nnnc1CN1CCC(COc2ccccc2)CC1.
What is the InChIKey of 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
The InChIKey is QMDUQCDQKGHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-10-22-17(18-19-20-22)13-21-11-8-15(9-12-21)14-23-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3.
What are the key properties of 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine?
4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine has a molecular weight of 315.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 86831886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).