4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine

C14H20N2O — CID 55159660

IUPAC4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(c1)CN(C1CCNCC1)CCO2
InChIInChI=1S/C14H20N2O/c1-2-4-14-12(3-1)11-16(9-10-17-14)13-5-7-15-8-6-13/h1-4,13,15H,5-11H2
InChIKeyMAEFNDKSFLCCQM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.63
Rot. Bonds1

About 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine

4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 55159660) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID55159660
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(c1)CN(C1CCNCC1)CCO2
InChIInChI=1S/C14H20N2O/c1-2-4-14-12(3-1)11-16(9-10-17-14)13-5-7-15-8-6-13/h1-4,13,15H,5-11H2
InChIKeyMAEFNDKSFLCCQM-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5-Tetrahydro-1,4-benzoxazepine
CID 21882775
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 9879041
N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexanamine
CID 9880608
(2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10268178
4,5-dihydro-1,4-benzoxazepin-3(2H)-one
CID 919801
Benzyl-(2-phenoxy-ethyl)-amine
CID 20256387
Morpholine, 4-((2-methoxyphenyl)methyl)-
CID 207116
(R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine hydrochloride
CID 16043230
1-Methyl-4-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepane
CID 2845669
1-[2-(Allyloxy)benzyl]azepane
CID 2845805

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine (CID 55159660) is 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine is c1ccc2c(c1)CN(C1CCNCC1)CCO2.
What is the InChIKey of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is MAEFNDKSFLCCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-14-12(3-1)11-16(9-10-17-14)13-5-7-15-8-6-13/h1-4,13,15H,5-11H2.
What are the key properties of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 232.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 55159660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).