[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

C24H29N5O — CID 164623106

IUPAC[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C24H29N5O/c25-13-17-1-5-20(6-2-17)23-24(21-7-3-18(14-26)4-8-21)29-22(15-28-23)30-16-19-9-11-27-12-10-19/h1-8,15,19,27H,9-14,16,25-26H2
InChIKeyHDFADWJZFCAEBH-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.11
Rot. Bonds7

About [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (PubChem CID 164623106) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
PubChem CID164623106
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C24H29N5O/c25-13-17-1-5-20(6-2-17)23-24(21-7-3-18(14-26)4-8-21)29-22(15-28-23)30-16-19-9-11-27-12-10-19/h1-8,15,19,27H,9-14,16,25-26H2
InChIKeyHDFADWJZFCAEBH-UHFFFAOYSA-N
XLogP3.11
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (CID 164623106) is [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is HDFADWJZFCAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c25-13-17-1-5-20(6-2-17)23-24(21-7-3-18(14-26)4-8-21)29-22(15-28-23)30-16-19-9-11-27-12-10-19/h1-8,15,19,27H,9-14,16,25-26H2.
What are the key properties of [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 403.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 164623106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).