(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine

C17H23F2N5 — CID 95713505

IUPAC(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine
SMILESFc1cccc(F)c1CC[C@H]1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C17H23F2N5/c18-16-5-1-6-17(19)15(16)8-7-14-4-2-9-23(12-14)10-3-11-24-13-20-21-22-24/h1,5-6,13-14H,2-4,7-12H2/t14-/m1/s1
InChIKeyYFRJSYOTPXPKNG-CQSZACIVSA-N
MW335.40 g/mol
LogP2.69
Rot. Bonds7

About (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine

(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine (PubChem CID 95713505) has the molecular formula C17H23F2N5 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine
PubChem CID95713505
Molecular FormulaC17H23F2N5
Molecular Weight335.40 g/mol
Exact Mass335.19
IUPAC Name(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine
SMILESFc1cccc(F)c1CC[C@H]1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C17H23F2N5/c18-16-5-1-6-17(19)15(16)8-7-14-4-2-9-23(12-14)10-3-11-24-13-20-21-22-24/h1,5-6,13-14H,2-4,7-12H2/t14-/m1/s1
InChIKeyYFRJSYOTPXPKNG-CQSZACIVSA-N
XLogP2.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 95707838
3-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56894307
(3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine
CID 95719167
5-[[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 95556773
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26411785
(3R)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708374
[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135099465
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708373
1-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42593959
2-[4-[[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]phenoxy]acetamide
CID 95486417
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
(2S,3R,6S)-3-(2,3-difluorophenyl)-5-[3-(tetrazol-1-yl)propyl]-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 133122734

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine?
The IUPAC name of (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine (CID 95713505) is (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine.
What is the SMILES notation for (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine?
The canonical SMILES for (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine is Fc1cccc(F)c1CC[C@H]1CCCN(CCCn2cnnn2)C1.
What is the InChIKey of (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine?
The InChIKey is YFRJSYOTPXPKNG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23F2N5/c18-16-5-1-6-17(19)15(16)8-7-14-4-2-9-23(12-14)10-3-11-24-13-20-21-22-24/h1,5-6,13-14H,2-4,7-12H2/t14-/m1/s1.
What are the key properties of (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine?
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine has a molecular weight of 335.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine is sourced from PubChem (CID 95713505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).