1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine

C15H22Cl2N2O — CID 61203648

IUPAC1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(CCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H22Cl2N2O/c1-18-10-12-4-3-7-19(11-12)8-9-20-15-13(16)5-2-6-14(15)17/h2,5-6,12,18H,3-4,7-11H2,1H3
InChIKeyDPBBWYMIZQWYRW-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.30
Rot. Bonds6

About 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 61203648) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID61203648
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(CCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H22Cl2N2O/c1-18-10-12-4-3-7-19(11-12)8-9-20-15-13(16)5-2-6-14(15)17/h2,5-6,12,18H,3-4,7-11H2,1H3
InChIKeyDPBBWYMIZQWYRW-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928392
[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063405
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
CID 65249570
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914494
N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62580428
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 120838975

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine (CID 61203648) is 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(CCOc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is DPBBWYMIZQWYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-18-10-12-4-3-7-19(11-12)8-9-20-15-13(16)5-2-6-14(15)17/h2,5-6,12,18H,3-4,7-11H2,1H3.
What are the key properties of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 317.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).