1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid

C18H24FN5O2 — CID 21156966

IUPAC1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H24FN5O2/c1-2-3-16(23-10-8-14(9-11-23)18(25)26)17-20-21-22-24(17)12-13-4-6-15(19)7-5-13/h4-7,14,16H,2-3,8-12H2,1H3,(H,25,26)
InChIKeyMNSSHRQHSKRLBS-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.50
Rot. Bonds7

About 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid

1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid (PubChem CID 21156966) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid
PubChem CID21156966
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H24FN5O2/c1-2-3-16(23-10-8-14(9-11-23)18(25)26)17-20-21-22-24(17)12-13-4-6-15(19)7-5-13/h4-7,14,16H,2-3,8-12H2,1H3,(H,25,26)
InChIKeyMNSSHRQHSKRLBS-UHFFFAOYSA-N
XLogP2.50
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid (CID 21156966) is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid is CCCC(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid?
The InChIKey is MNSSHRQHSKRLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-2-3-16(23-10-8-14(9-11-23)18(25)26)17-20-21-22-24(17)12-13-4-6-15(19)7-5-13/h4-7,14,16H,2-3,8-12H2,1H3,(H,25,26).
What are the key properties of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid?
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 21156966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).