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

C23H26N4O2 — CID 164624109

IUPAC4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol
SMILESNCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H26N4O2/c24-13-16-1-3-19(4-2-16)23-22(18-5-7-20(28)8-6-18)26-14-21(27-23)29-15-17-9-11-25-12-10-17/h1-8,14,17,25,28H,9-13,15,24H2
InChIKeyCBMHJMNVEZFPDY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.35
Rot. Bonds6

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

4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol (PubChem CID 164624109) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol
PubChem CID164624109
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol
SMILESNCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H26N4O2/c24-13-16-1-3-19(4-2-16)23-22(18-5-7-20(28)8-6-18)26-14-21(27-23)29-15-17-9-11-25-12-10-17/h1-8,14,17,25,28H,9-13,15,24H2
InChIKeyCBMHJMNVEZFPDY-UHFFFAOYSA-N
XLogP3.35
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 164627718
2-[4-[3-[4-(2-aminopropan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]propan-2-amine
CID 155194410
5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride
CID 155194418
2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
CID 155194512
[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
CID 155194352
2-(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)-3-(1-piperidin-4-ylpyrazol-4-yl)pyrazine;hydrochloride
CID 155194584
4-(piperidin-4-ylmethyl)phenol
CID 17039495
[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol
CID 127026390
6-(piperidin-4-ylmethoxy)pyridine-2-carboxylic acid
CID 51063759
3-[4-(aminomethyl)phenyl]-N-(4-chlorophenyl)-6-(piperidin-4-ylmethylamino)pyrazine-2-carboxamide
CID 164622258
2-bromo-6-(piperidin-4-ylmethoxy)pyridine
CID 56831276
4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride
CID 90026685

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol?
The IUPAC name of 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol (CID 164624109) is 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol?
The canonical SMILES for 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol is NCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol?
The InChIKey is CBMHJMNVEZFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-13-16-1-3-19(4-2-16)23-22(18-5-7-20(28)8-6-18)26-14-21(27-23)29-15-17-9-11-25-12-10-17/h1-8,14,17,25,28H,9-13,15,24H2.
What are the key properties of 4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol?
4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol has a molecular weight of 390.49 g/mol, XLogP of 3.35, 6 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]phenol is sourced from PubChem (CID 164624109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).