1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride

C19H22ClFN2O2 — CID 119415302

IUPAC1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1OCc1ccc(F)cc1)N1CCCNCC1
InChIInChI=1S/C19H21FN2O2.ClH/c20-16-8-6-15(7-9-16)14-24-18-5-2-1-4-17(18)19(23)22-12-3-10-21-11-13-22;/h1-2,4-9,21H,3,10-14H2;1H
InChIKeyACRZEZNVHMSQQQ-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.26
Rot. Bonds4

About 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride

1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride (PubChem CID 119415302) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
PubChem CID119415302
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1OCc1ccc(F)cc1)N1CCCNCC1
InChIInChI=1S/C19H21FN2O2.ClH/c20-16-8-6-15(7-9-16)14-24-18-5-2-1-4-17(18)19(23)22-12-3-10-21-11-13-22;/h1-2,4-9,21H,3,10-14H2;1H
InChIKeyACRZEZNVHMSQQQ-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
[2-[(4-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione
CID 838528
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
1,4-diazepan-1-yl-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 122147492
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112803676

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride?
The IUPAC name of 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride (CID 119415302) is 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride.
What is the SMILES notation for 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride?
The canonical SMILES for 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride is Cl.O=C(c1ccccc1OCc1ccc(F)cc1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride?
The InChIKey is ACRZEZNVHMSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2.ClH/c20-16-8-6-15(7-9-16)14-24-18-5-2-1-4-17(18)19(23)22-12-3-10-21-11-13-22;/h1-2,4-9,21H,3,10-14H2;1H.
What are the key properties of 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride?
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride has a molecular weight of 364.85 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride is sourced from PubChem (CID 119415302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).