1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine

C14H21ClN2O — CID 43373136

IUPAC1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCC(OC)CC1
InChIInChI=1S/C14H21ClN2O/c1-16-10-12-13(15)4-3-5-14(12)17-8-6-11(18-2)7-9-17/h3-5,11,16H,6-10H2,1-2H3
InChIKeyGMHUNNJZMVIYCI-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine

1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 43373136) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
PubChem CID43373136
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCC(OC)CC1
InChIInChI=1S/C14H21ClN2O/c1-16-10-12-13(15)4-3-5-14(12)17-8-6-11(18-2)7-9-17/h3-5,11,16H,6-10H2,1-2H3
InChIKeyGMHUNNJZMVIYCI-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
N-[[2-chloro-6-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 103535818
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
CID 43281436
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
CID 43281338
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961261
1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
CID 90124088

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine (CID 43373136) is 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1N1CCC(OC)CC1.
What is the InChIKey of 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is GMHUNNJZMVIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-10-12-13(15)4-3-5-14(12)17-8-6-11(18-2)7-9-17/h3-5,11,16H,6-10H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43373136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).