1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine

C15H21ClN2O2 — CID 115312982

IUPAC1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C15H21ClN2O2/c1-10-4-14(17)2-3-18(10)7-11-5-13(16)6-12-8-19-9-20-15(11)12/h5-6,10,14H,2-4,7-9,17H2,1H3
InChIKeyHDJHNNUDYUZECE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.52
Rot. Bonds2

About 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine

1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine (PubChem CID 115312982) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine
PubChem CID115312982
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C15H21ClN2O2/c1-10-4-14(17)2-3-18(10)7-11-5-13(16)6-12-8-19-9-20-15(11)12/h5-6,10,14H,2-4,7-9,17H2,1H3
InChIKeyHDJHNNUDYUZECE-UHFFFAOYSA-N
XLogP2.52
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-ethylpiperidine
CID 47006660
1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249921
2-benzyl-1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidine
CID 43045996
1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206461
(4aR,8aR)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 124838924
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
(3aR,7aR)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 8581196
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-methyltetrazole
CID 84587319
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 37459118
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylazepan-4-ol
CID 107408304

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine (CID 115312982) is 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine is CC1CC(N)CCN1Cc1cc(Cl)cc2c1OCOC2.
What is the InChIKey of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine?
The InChIKey is HDJHNNUDYUZECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-4-14(17)2-3-18(10)7-11-5-13(16)6-12-8-19-9-20-15(11)12/h5-6,10,14H,2-4,7-9,17H2,1H3.
What are the key properties of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine?
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine has a molecular weight of 296.80 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 115312982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).