1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane

C18H21FN2 — CID 112826234

IUPAC1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane
SMILESFc1ccccc1CN1CCCCCC1c1ccncc1
InChIInChI=1S/C18H21FN2/c19-17-7-4-3-6-16(17)14-21-13-5-1-2-8-18(21)15-9-11-20-12-10-15/h3-4,6-7,9-12,18H,1-2,5,8,13-14H2
InChIKeyAVGAYEGSOWHGTM-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.34
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane

1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane (PubChem CID 112826234) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane
PubChem CID112826234
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane
SMILESFc1ccccc1CN1CCCCCC1c1ccncc1
InChIInChI=1S/C18H21FN2/c19-17-7-4-3-6-16(17)14-21-13-5-1-2-8-18(21)15-9-11-20-12-10-15/h3-4,6-7,9-12,18H,1-2,5,8,13-14H2
InChIKeyAVGAYEGSOWHGTM-UHFFFAOYSA-N
XLogP4.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
CID 112826237
(2S)-1-[(2-fluorophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878201
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110109904
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897264
2-fluoro-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 122138422
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 124953340
4-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 75440794
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536827
5-chloro-1-methyl-2-[(2-pyridin-4-ylazepan-1-yl)methyl]benzimidazole
CID 112841565

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane (CID 112826234) is 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane is Fc1ccccc1CN1CCCCCC1c1ccncc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane?
The InChIKey is AVGAYEGSOWHGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-7-4-3-6-16(17)14-21-13-5-1-2-8-18(21)15-9-11-20-12-10-15/h3-4,6-7,9-12,18H,1-2,5,8,13-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane?
1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane has a molecular weight of 284.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane is sourced from PubChem (CID 112826234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).