2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol

C22H32N4O — CID 91322482

IUPAC2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol
SMILESNC1=NC(c2cc(CC3CCCCC3)ccc2O)=CN(C2CCCNC2)C1
InChIInChI=1S/C22H32N4O/c23-22-15-26(18-7-4-10-24-13-18)14-20(25-22)19-12-17(8-9-21(19)27)11-16-5-2-1-3-6-16/h8-9,12,14,16,18,24,27H,1-7,10-11,13,15H2,(H2,23,25)
InChIKeyCMIZTAMXCLQXNO-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol

2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol (PubChem CID 91322482) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol.

Molecular Properties

Compound Name2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol
PubChem CID91322482
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol
SMILESNC1=NC(c2cc(CC3CCCCC3)ccc2O)=CN(C2CCCNC2)C1
InChIInChI=1S/C22H32N4O/c23-22-15-26(18-7-4-10-24-13-18)14-20(25-22)19-12-17(8-9-21(19)27)11-16-5-2-1-3-6-16/h8-9,12,14,16,18,24,27H,1-7,10-11,13,15H2,(H2,23,25)
InChIKeyCMIZTAMXCLQXNO-UHFFFAOYSA-N
XLogP3.24
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol?
The IUPAC name of 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol (CID 91322482) is 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol.
What is the SMILES notation for 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol?
The canonical SMILES for 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol is NC1=NC(c2cc(CC3CCCCC3)ccc2O)=CN(C2CCCNC2)C1.
What is the InChIKey of 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol?
The InChIKey is CMIZTAMXCLQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c23-22-15-26(18-7-4-10-24-13-18)14-20(25-22)19-12-17(8-9-21(19)27)11-16-5-2-1-3-6-16/h8-9,12,14,16,18,24,27H,1-7,10-11,13,15H2,(H2,23,25).
What are the key properties of 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol?
2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol has a molecular weight of 368.53 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-piperidin-3-yl-2H-pyrazin-5-yl)-4-(cyclohexylmethyl)phenol is sourced from PubChem (CID 91322482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).