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

C15H22ClN3 — CID 61445796

IUPAC1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22ClN3/c1-17-11-13-14(16)3-2-4-15(13)19-9-7-18(8-10-19)12-5-6-12/h2-4,12,17H,5-11H2,1H3
InChIKeyACJAMJHSINVIDH-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.34
Rot. Bonds4

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

1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 61445796) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
PubChem CID61445796
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22ClN3/c1-17-11-13-14(16)3-2-4-15(13)19-9-7-18(8-10-19)12-5-6-12/h2-4,12,17H,5-11H2,1H3
InChIKeyACJAMJHSINVIDH-UHFFFAOYSA-N
XLogP2.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
CID 43281436
1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
CID 43281338
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201
2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
CID 104834247
1-[2-(bromomethyl)-3-chlorophenyl]-4-cyclopentylpiperazine
CID 107082799
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
1-[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62973443

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine (CID 61445796) is 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is ACJAMJHSINVIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-17-11-13-14(16)3-2-4-15(13)19-9-7-18(8-10-19)12-5-6-12/h2-4,12,17H,5-11H2,1H3.
What are the key properties of 1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 279.81 g/mol, XLogP of 2.34, 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-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).