[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine

C12H18ClN3 — CID 62945829

IUPAC[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(CN)c(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3/c1-15-4-6-16(7-5-15)11-3-2-10(9-14)12(13)8-11/h2-3,8H,4-7,9,14H2,1H3
InChIKeyDYVGWYOMMHVMSK-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.55
Rot. Bonds2

About [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine

[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 62945829) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID62945829
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(CN)c(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3/c1-15-4-6-16(7-5-15)11-3-2-10(9-14)12(13)8-11/h2-3,8H,4-7,9,14H2,1H3
InChIKeyDYVGWYOMMHVMSK-UHFFFAOYSA-N
XLogP1.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine (CID 62945829) is [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine is CN1CCN(c2ccc(CN)c(Cl)c2)CC1.
What is the InChIKey of [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is DYVGWYOMMHVMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-15-4-6-16(7-5-15)11-3-2-10(9-14)12(13)8-11/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine?
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 239.75 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 62945829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).