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

C14H28N2O — CID 63129768

IUPAC4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
SMILESCCCC1(CN2CCCOCC2)CCNCC1
InChIInChI=1S/C14H28N2O/c1-2-4-14(5-7-15-8-6-14)13-16-9-3-11-17-12-10-16/h15H,2-13H2,1H3
InChIKeyIJGCNUBIOKAPLW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

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

4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane (PubChem CID 63129768) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
PubChem CID63129768
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
SMILESCCCC1(CN2CCCOCC2)CCNCC1
InChIInChI=1S/C14H28N2O/c1-2-4-14(5-7-15-8-6-14)13-16-9-3-11-17-12-10-16/h15H,2-13H2,1H3
InChIKeyIJGCNUBIOKAPLW-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-propylpyrrolidin-2-yl)methyl]-1,4-oxazepane
CID 106976397
2-methyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 63129544
4-[[1-(3-methylbutyl)cyclopropyl]methyl]-1,4-oxazepane
CID 176594264
N,N-dimethyl-1-[(4-propylpiperidin-4-yl)methyl]piperidin-4-amine
CID 63129344
3-methoxy-3-methyl-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 107393283
(2R,6S)-2,6-dimethyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 104959142
3-methoxy-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 102963889
4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 63193214
4-[[1-(bromomethyl)cyclopentyl]methyl]-1,4-oxazepane
CID 65002858
4-[[4-(bromomethyl)oxan-4-yl]methyl]-1,4-oxazepane
CID 65004814
4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane
CID 104595033
4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63154710

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane?
The IUPAC name of 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane (CID 63129768) is 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane?
The canonical SMILES for 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane is CCCC1(CN2CCCOCC2)CCNCC1.
What is the InChIKey of 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane?
The InChIKey is IJGCNUBIOKAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-4-14(5-7-15-8-6-14)13-16-9-3-11-17-12-10-16/h15H,2-13H2,1H3.
What are the key properties of 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane?
4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 63129768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).