4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine

C9H15F2N5 — CID 167845741

IUPAC4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine
SMILESCn1nnnc1N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C9H15F2N5/c1-9(10,11)7-3-5-16(6-4-7)8-12-13-14-15(8)2/h7H,3-6H2,1-2H3
InChIKeyDWPFWXUHLUGMJQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.08
Rot. Bonds2

About 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine

4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine (PubChem CID 167845741) has the molecular formula C9H15F2N5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine
PubChem CID167845741
Molecular FormulaC9H15F2N5
Molecular Weight231.25 g/mol
Exact Mass231.13
IUPAC Name4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine
SMILESCn1nnnc1N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C9H15F2N5/c1-9(10,11)7-3-5-16(6-4-7)8-12-13-14-15(8)2/h7H,3-6H2,1-2H3
InChIKeyDWPFWXUHLUGMJQ-UHFFFAOYSA-N
XLogP1.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine?
The IUPAC name of 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine (CID 167845741) is 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine?
The canonical SMILES for 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine is Cn1nnnc1N1CCC(C(C)(F)F)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine?
The InChIKey is DWPFWXUHLUGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5/c1-9(10,11)7-3-5-16(6-4-7)8-12-13-14-15(8)2/h7H,3-6H2,1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine?
4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine has a molecular weight of 231.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine is sourced from PubChem (CID 167845741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).