1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine

C14H21ClN2O2 — CID 171282481

IUPAC1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine
SMILESClc1ccc(C(C2CCOCC2)N2CCNCC2)o1
InChIInChI=1S/C14H21ClN2O2/c15-13-2-1-12(19-13)14(11-3-9-18-10-4-11)17-7-5-16-6-8-17/h1-2,11,14,16H,3-10H2
InChIKeyGBSCYEIPFIMGQZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.31
Rot. Bonds3

About 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine

1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine (PubChem CID 171282481) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine
PubChem CID171282481
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine
SMILESClc1ccc(C(C2CCOCC2)N2CCNCC2)o1
InChIInChI=1S/C14H21ClN2O2/c15-13-2-1-12(19-13)14(11-3-9-18-10-4-11)17-7-5-16-6-8-17/h1-2,11,14,16H,3-10H2
InChIKeyGBSCYEIPFIMGQZ-UHFFFAOYSA-N
XLogP2.31
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171289486
4-[(S)-oxan-4-yl(piperazin-1-yl)methyl]benzonitrile
CID 171272527
1-[(S)-oxan-4-yl-(4-phenylphenyl)methyl]piperazine
CID 171279538
1-[(S)-(5-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171275464
4-chloro-2-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171284751
1-[(R)-(3-chloro-2,6-difluorophenyl)-(oxan-4-yl)methyl]piperazine
CID 171292469
1-[(R)-oxan-4-yl-(2,3,4,5,6-pentamethylphenyl)methyl]piperazine;dihydrochloride
CID 171294989
1-[(R)-(3,5-dimethylphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288161
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
1-[(R)-[4-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171290879
1-[(R)-(2-iodophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171293298
2-chloro-3-fluoro-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171300298

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine (CID 171282481) is 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine is Clc1ccc(C(C2CCOCC2)N2CCNCC2)o1.
What is the InChIKey of 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine?
The InChIKey is GBSCYEIPFIMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-13-2-1-12(19-13)14(11-3-9-18-10-4-11)17-7-5-16-6-8-17/h1-2,11,14,16H,3-10H2.
What are the key properties of 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine?
1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine has a molecular weight of 284.79 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine is sourced from PubChem (CID 171282481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).