2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine

C28H37N5O — CID 155194410

IUPAC2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)N)cc2)cc1
InChIInChI=1S/C28H37N5O/c1-27(2,29)22-9-5-20(6-10-22)25-26(21-7-11-23(12-8-21)28(3,4)30)33-24(17-32-25)34-18-19-13-15-31-16-14-19/h5-12,17,19,31H,13-16,18,29-30H2,1-4H3
InChIKeyZLIQWEQXSPEWCI-UHFFFAOYSA-N
MW459.64 g/mol
LogP4.58
Rot. Bonds7

About 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine

2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine (PubChem CID 155194410) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine
PubChem CID155194410
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)N)cc2)cc1
InChIInChI=1S/C28H37N5O/c1-27(2,29)22-9-5-20(6-10-22)25-26(21-7-11-23(12-8-21)28(3,4)30)33-24(17-32-25)34-18-19-13-15-31-16-14-19/h5-12,17,19,31H,13-16,18,29-30H2,1-4H3
InChIKeyZLIQWEQXSPEWCI-UHFFFAOYSA-N
XLogP4.58
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine?
The IUPAC name of 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine (CID 155194410) is 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine?
The canonical SMILES for 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine is CC(C)(N)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)N)cc2)cc1.
What is the InChIKey of 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine?
The InChIKey is ZLIQWEQXSPEWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O/c1-27(2,29)22-9-5-20(6-10-22)25-26(21-7-11-23(12-8-21)28(3,4)30)33-24(17-32-25)34-18-19-13-15-31-16-14-19/h5-12,17,19,31H,13-16,18,29-30H2,1-4H3.
What are the key properties of 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine?
2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine has a molecular weight of 459.64 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine is sourced from PubChem (CID 155194410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).