3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane

C15H21FN2 — CID 64870330

IUPAC3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
SMILESFc1ccc(CN2CCCNC(C3CC3)C2)cc1
InChIInChI=1S/C15H21FN2/c16-14-6-2-12(3-7-14)10-18-9-1-8-17-15(11-18)13-4-5-13/h2-3,6-7,13,15,17H,1,4-5,8-11H2
InChIKeyTUQBYVDRSMEVQB-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.40
Rot. Bonds3

About 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane

3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane (PubChem CID 64870330) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
PubChem CID64870330
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
SMILESFc1ccc(CN2CCCNC(C3CC3)C2)cc1
InChIInChI=1S/C15H21FN2/c16-14-6-2-12(3-7-14)10-18-9-1-8-17-15(11-18)13-4-5-13/h2-3,6-7,13,15,17H,1,4-5,8-11H2
InChIKeyTUQBYVDRSMEVQB-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-1,4-diazepane
CID 64870919
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-1,4-diazepane
CID 64869739
3-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 105375757
1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64871121
3-ethyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870904
1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine
CID 64953574
3-cyclopropyl-1-(4-fluorophenyl)-1,4-diazepane
CID 64945264
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64833211
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64832815
1-[(5-bromo-3-pyridinyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 113456021
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
6-[(3,5-difluorophenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682641

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane (CID 64870330) is 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane is Fc1ccc(CN2CCCNC(C3CC3)C2)cc1.
What is the InChIKey of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane?
The InChIKey is TUQBYVDRSMEVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-14-6-2-12(3-7-14)10-18-9-1-8-17-15(11-18)13-4-5-13/h2-3,6-7,13,15,17H,1,4-5,8-11H2.
What are the key properties of 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane?
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane has a molecular weight of 248.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane is sourced from PubChem (CID 64870330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).