trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol

C16H26N4O — CID 125004104

IUPACtrans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCNc1cncc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)n1
InChIInChI=1S/C16H26N4O/c1-17-16-11-18-10-13(19-16)12-6-8-20(9-7-12)14-4-2-3-5-15(14)21/h10-12,14-15,21H,2-9H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeySWIXNKSEQUPSMS-GJZGRUSLSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds3

About trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 125004104) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID125004104
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Nametrans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCNc1cncc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)n1
InChIInChI=1S/C16H26N4O/c1-17-16-11-18-10-13(19-16)12-6-8-20(9-7-12)14-4-2-3-5-15(14)21/h10-12,14-15,21H,2-9H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeySWIXNKSEQUPSMS-GJZGRUSLSA-N
XLogP2.00
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol (CID 125004104) is trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol is CNc1cncc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)n1.
What is the InChIKey of trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is SWIXNKSEQUPSMS-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-16-11-18-10-13(19-16)12-6-8-20(9-7-12)14-4-2-3-5-15(14)21/h10-12,14-15,21H,2-9H2,1H3,(H,17,19)/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 125004104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).