4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane

C17H26N2O — CID 63154710

IUPAC4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
SMILESc1ccc(C2(CN3CCCOCC3)CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-16(6-3-1)17(7-9-18-10-8-17)15-19-11-4-13-20-14-12-19/h1-3,5-6,18H,4,7-15H2
InChIKeyAUGHOPYJRACMMP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.03
Rot. Bonds3

About 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane

4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane (PubChem CID 63154710) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
PubChem CID63154710
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
SMILESc1ccc(C2(CN3CCCOCC3)CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-16(6-3-1)17(7-9-18-10-8-17)15-19-11-4-13-20-14-12-19/h1-3,5-6,18H,4,7-15H2
InChIKeyAUGHOPYJRACMMP-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(4-phenylpiperidin-4-yl)methyl]-1,4-diazepane
CID 63155146
3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine
CID 69035157
4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane
CID 45239153
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63129768
4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine
CID 103534759
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine
CID 59837542
2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 99928933
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
CID 82129251
1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
CID 82132559
1-(oxolan-3-yl)-N-[(4-phenylpiperidin-4-yl)methyl]methanamine
CID 63155325

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
The IUPAC name of 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane (CID 63154710) is 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
The canonical SMILES for 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane is c1ccc(C2(CN3CCCOCC3)CCNCC2)cc1.
What is the InChIKey of 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
The InChIKey is AUGHOPYJRACMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-5-16(6-3-1)17(7-9-18-10-8-17)15-19-11-4-13-20-14-12-19/h1-3,5-6,18H,4,7-15H2.
What are the key properties of 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane has a molecular weight of 274.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 63154710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).