1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine

C16H23ClN2O2 — CID 63249921

IUPAC1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C16H23ClN2O2/c1-18-8-15-4-2-3-5-19(15)9-12-6-14(17)7-13-10-20-11-21-16(12)13/h6-7,15,18H,2-5,8-11H2,1H3
InChIKeyDBXCNYYWDOKRIO-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63249921) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63249921
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C16H23ClN2O2/c1-18-8-15-4-2-3-5-19(15)9-12-6-14(17)7-13-10-20-11-21-16(12)13/h6-7,15,18H,2-5,8-11H2,1H3
InChIKeyDBXCNYYWDOKRIO-UHFFFAOYSA-N
XLogP2.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.78
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
2-benzyl-1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidine
CID 43045996
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)azepane
CID 116638621
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperidin-4-amine
CID 115312982
(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
2-(bromomethyl)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]azepane
CID 116638420
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylazepan-4-ol
CID 107408304
(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 100855691
2-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidine
CID 51339351
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 37459118

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine (CID 63249921) is 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1Cc1cc(Cl)cc2c1OCOC2.
What is the InChIKey of 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is DBXCNYYWDOKRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-18-8-15-4-2-3-5-19(15)9-12-6-14(17)7-13-10-20-11-21-16(12)13/h6-7,15,18H,2-5,8-11H2,1H3.
What are the key properties of 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 310.83 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63249921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).