(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine

C17H23FN4O — CID 31135460

IUPAC(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
SMILESCOCc1cn(C[C@H]2CCCN(Cc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C17H23FN4O/c1-23-13-17-12-22(20-19-17)11-15-3-2-8-21(10-15)9-14-4-6-16(18)7-5-14/h4-7,12,15H,2-3,8-11,13H2,1H3/t15-/m0/s1
InChIKeyKPFWCOQXCMCTGU-HNNXBMFYSA-N
MW318.40 g/mol
LogP2.48
Rot. Bonds6

About (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine

(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine (PubChem CID 31135460) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
PubChem CID31135460
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
SMILESCOCc1cn(C[C@H]2CCCN(Cc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C17H23FN4O/c1-23-13-17-12-22(20-19-17)11-15-3-2-8-21(10-15)9-14-4-6-16(18)7-5-14/h4-7,12,15H,2-3,8-11,13H2,1H3/t15-/m0/s1
InChIKeyKPFWCOQXCMCTGU-HNNXBMFYSA-N
XLogP2.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
CID 123822821
(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine
CID 29170107
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798
(3R,4R,6R)-N-[(4-fluorophenyl)methyl]-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11942331
(3R,6R)-N-[(4-fluorophenyl)methyl]-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 44716081
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
CID 83982807
[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28906323
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 106587344

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine (CID 31135460) is (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine is COCc1cn(C[C@H]2CCCN(Cc3ccc(F)cc3)C2)nn1.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine?
The InChIKey is KPFWCOQXCMCTGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-23-13-17-12-22(20-19-17)11-15-3-2-8-21(10-15)9-14-4-6-16(18)7-5-14/h4-7,12,15H,2-3,8-11,13H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine?
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine has a molecular weight of 318.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine is sourced from PubChem (CID 31135460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).