1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine

C17H22FN5 — CID 131942648

IUPAC1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESFc1ccc(N2CCC(N3CCC(c4ncn[nH]4)CC3)C2)cc1
InChIInChI=1S/C17H22FN5/c18-14-1-3-15(4-2-14)23-10-7-16(11-23)22-8-5-13(6-9-22)17-19-12-20-21-17/h1-4,12-13,16H,5-11H2,(H,19,20,21)
InChIKeyLDTMYDBXAGDHQX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine

1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 131942648) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID131942648
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESFc1ccc(N2CCC(N3CCC(c4ncn[nH]4)CC3)C2)cc1
InChIInChI=1S/C17H22FN5/c18-14-1-3-15(4-2-14)23-10-7-16(11-23)22-8-5-13(6-9-22)17-19-12-20-21-17/h1-4,12-13,16H,5-11H2,(H,19,20,21)
InChIKeyLDTMYDBXAGDHQX-UHFFFAOYSA-N
XLogP2.40
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
CID 135347545
1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4-diazepane
CID 125041821
(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 126449938
(1S,5R)-3-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154904520
5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 167788441
9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162637257
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
CID 111916571
2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
CID 91648183
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
[1-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]triazol-4-yl]methylurea
CID 45245897
4-tert-butyl-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 138033495
2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
CID 110096160

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 131942648) is 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine is Fc1ccc(N2CCC(N3CCC(c4ncn[nH]4)CC3)C2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is LDTMYDBXAGDHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c18-14-1-3-15(4-2-14)23-10-7-16(11-23)22-8-5-13(6-9-22)17-19-12-20-21-17/h1-4,12-13,16H,5-11H2,(H,19,20,21).
What are the key properties of 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 315.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 131942648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).