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

C28H35N5O — CID 155194401

IUPAC[4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C28H35N5O/c29-17-20-1-3-24(4-2-20)27-28(25-7-5-22(6-8-25)23-11-15-31-16-12-23)33-26(18-32-27)34-19-21-9-13-30-14-10-21/h1-8,18,21,23,30-31H,9-17,19,29H2
InChIKeyXPRPUYPHFSOOMP-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.11
Rot. Bonds7

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

[4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine (PubChem CID 155194401) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine
PubChem CID155194401
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC Name[4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C28H35N5O/c29-17-20-1-3-24(4-2-20)27-28(25-7-5-22(6-8-25)23-11-15-31-16-12-23)33-26(18-32-27)34-19-21-9-13-30-14-10-21/h1-8,18,21,23,30-31H,9-17,19,29H2
InChIKeyXPRPUYPHFSOOMP-UHFFFAOYSA-N
XLogP4.11
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine
CID 138320061
[4-[3-[4-(Oxolan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194240
[4-[3-[6-(Oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194366
[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194368
[4-[3-[4-(Oxan-4-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194384
[4-[6-(Piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
CID 155194392
4-[3-(4-Bromophenyl)-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzonitrile
CID 127024953
[4-[3-[4-(Hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol
CID 164612234
1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 164612593
[4-[3-(4-Piperazin-1-ylphenyl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 164617596
2,3-Bis(4-iodophenyl)-5-(piperidin-4-ylmethoxy)pyrazine
CID 164621433
[4-[3-[4-(Aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 164623106

Frequently Asked Questions

What is the IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine (CID 155194401) is [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCNCC3)cc2)cc1.
What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is XPRPUYPHFSOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O/c29-17-20-1-3-24(4-2-20)27-28(25-7-5-22(6-8-25)23-11-15-31-16-12-23)33-26(18-32-27)34-19-21-9-13-30-14-10-21/h1-8,18,21,23,30-31H,9-17,19,29H2.
What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
[4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 457.62 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(piperidin-4-ylmethoxy)-3-(4-piperidin-4-ylphenyl)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).