1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine

C28H37N5O — CID 164612593

IUPAC1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C28H37N5O/c1-32(2)18-21-5-9-24(10-6-21)27-28(25-11-7-22(8-12-25)19-33(3)4)31-26(17-30-27)34-20-23-13-15-29-16-14-23/h5-12,17,23,29H,13-16,18-20H2,1-4H3
InChIKeyCXTFWXNGUWICBJ-UHFFFAOYSA-N
MW459.64 g/mol
LogP4.31
Rot. Bonds9

About 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine

1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 164612593) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID164612593
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C28H37N5O/c1-32(2)18-21-5-9-24(10-6-21)27-28(25-11-7-22(8-12-25)19-33(3)4)31-26(17-30-27)34-20-23-13-15-29-16-14-23/h5-12,17,23,29H,13-16,18-20H2,1-4H3
InChIKeyCXTFWXNGUWICBJ-UHFFFAOYSA-N
XLogP4.31
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine (CID 164612593) is 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is CXTFWXNGUWICBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O/c1-32(2)18-21-5-9-24(10-6-21)27-28(25-11-7-22(8-12-25)19-33(3)4)31-26(17-30-27)34-20-23-13-15-29-16-14-23/h5-12,17,23,29H,13-16,18-20H2,1-4H3.
What are the key properties of 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine?
1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 459.64 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 164612593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).