[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol

C22H30N4O — CID 58229622

IUPAC[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccnc(CC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H30N4O/c27-16-18-13-21(25-22(14-18)26-10-8-23-9-11-26)19-6-7-24-20(15-19)12-17-4-2-1-3-5-17/h6-7,13-15,17,23,27H,1-5,8-12,16H2
InChIKeyTYFNFCHOXVXXDJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.17
Rot. Bonds5

About [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol

[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol (PubChem CID 58229622) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol
PubChem CID58229622
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccnc(CC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H30N4O/c27-16-18-13-21(25-22(14-18)26-10-8-23-9-11-26)19-6-7-24-20(15-19)12-17-4-2-1-3-5-17/h6-7,13-15,17,23,27H,1-5,8-12,16H2
InChIKeyTYFNFCHOXVXXDJ-UHFFFAOYSA-N
XLogP3.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol?
The IUPAC name of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol (CID 58229622) is [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol.
What is the SMILES notation for [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol?
The canonical SMILES for [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol is OCc1cc(-c2ccnc(CC3CCCCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol?
The InChIKey is TYFNFCHOXVXXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c27-16-18-13-21(25-22(14-18)26-10-8-23-9-11-26)19-6-7-24-20(15-19)12-17-4-2-1-3-5-17/h6-7,13-15,17,23,27H,1-5,8-12,16H2.
What are the key properties of [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol?
[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol has a molecular weight of 366.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol is sourced from PubChem (CID 58229622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).