6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine

C18H23ClN4 — CID 60567887

IUPAC6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine
SMILESCC1CCCCN1Cc1ccccc1CNc1cncc(Cl)n1
InChIInChI=1S/C18H23ClN4/c1-14-6-4-5-9-23(14)13-16-8-3-2-7-15(16)10-21-18-12-20-11-17(19)22-18/h2-3,7-8,11-12,14H,4-6,9-10,13H2,1H3,(H,21,22)
InChIKeyBTVHNIAORFYBDB-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.12
Rot. Bonds5

About 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine

6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine (PubChem CID 60567887) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine
PubChem CID60567887
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine
SMILESCC1CCCCN1Cc1ccccc1CNc1cncc(Cl)n1
InChIInChI=1S/C18H23ClN4/c1-14-6-4-5-9-23(14)13-16-8-3-2-7-15(16)10-21-18-12-20-11-17(19)22-18/h2-3,7-8,11-12,14H,4-6,9-10,13H2,1H3,(H,21,22)
InChIKeyBTVHNIAORFYBDB-UHFFFAOYSA-N
XLogP4.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine (CID 60567887) is 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine is CC1CCCCN1Cc1ccccc1CNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine?
The InChIKey is BTVHNIAORFYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-14-6-4-5-9-23(14)13-16-8-3-2-7-15(16)10-21-18-12-20-11-17(19)22-18/h2-3,7-8,11-12,14H,4-6,9-10,13H2,1H3,(H,21,22).
What are the key properties of 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine?
6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine has a molecular weight of 330.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 60567887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).