(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

C17H23FN4 — CID 95715235

IUPAC(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESFc1ccc(CC[C@@H]2CCCN(CCn3cncn3)C2)cc1
InChIInChI=1S/C17H23FN4/c18-17-7-5-15(6-8-17)3-4-16-2-1-9-21(12-16)10-11-22-14-19-13-20-22/h5-8,13-14,16H,1-4,9-12H2/t16-/m0/s1
InChIKeyJFBBSCQRZAKYPG-INIZCTEOSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds6

About (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 95715235) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID95715235
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESFc1ccc(CC[C@@H]2CCCN(CCn3cncn3)C2)cc1
InChIInChI=1S/C17H23FN4/c18-17-7-5-15(6-8-17)3-4-16-2-1-9-21(12-16)10-11-22-14-19-13-20-22/h5-8,13-14,16H,1-4,9-12H2/t16-/m0/s1
InChIKeyJFBBSCQRZAKYPG-INIZCTEOSA-N
XLogP2.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 56892042
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 45191583
2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol
CID 95730431
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
3-[2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 167758406
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 136522753
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
1-[(3R)-3-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 26394446
3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
CID 56906309
3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 56862084
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 95402385
1-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42593959

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (CID 95715235) is (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is Fc1ccc(CC[C@@H]2CCCN(CCn3cncn3)C2)cc1.
What is the InChIKey of (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is JFBBSCQRZAKYPG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23FN4/c18-17-7-5-15(6-8-17)3-4-16-2-1-9-21(12-16)10-11-22-14-19-13-20-22/h5-8,13-14,16H,1-4,9-12H2/t16-/m0/s1.
What are the key properties of (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 302.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 95715235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).