1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine

C16H24N2O2 — CID 117443013

IUPAC1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine
SMILESc1ccc(OC2CCCOC2)c(CN2CCNCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-6-16(20-15-5-3-11-19-13-15)14(4-1)12-18-9-7-17-8-10-18/h1-2,4,6,15,17H,3,5,7-13H2
InChIKeyBRCGUPFVUATOJO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds4

About 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine

1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine (PubChem CID 117443013) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine
PubChem CID117443013
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine
SMILESc1ccc(OC2CCCOC2)c(CN2CCNCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-6-16(20-15-5-3-11-19-13-15)14(4-1)12-18-9-7-17-8-10-18/h1-2,4,6,15,17H,3,5,7-13H2
InChIKeyBRCGUPFVUATOJO-UHFFFAOYSA-N
XLogP1.65
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
3-[2-(oxan-3-yloxy)phenyl]propanal
CID 117340444
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
3-naphthalen-1-yloxyoxane
CID 107137916
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375203
1-[3-methyl-4-(oxan-3-yloxy)phenyl]-1,4-diazepane
CID 107137317
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
4-[2-[(3R)-oxolan-3-yl]oxyphenyl]piperidine
CID 156722278

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine (CID 117443013) is 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine is c1ccc(OC2CCCOC2)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine?
The InChIKey is BRCGUPFVUATOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-6-16(20-15-5-3-11-19-13-15)14(4-1)12-18-9-7-17-8-10-18/h1-2,4,6,15,17H,3,5,7-13H2.
What are the key properties of 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine?
1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine has a molecular weight of 276.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine is sourced from PubChem (CID 117443013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).