[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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Related Compounds

alpha-((2-Pyridinylamino)methyl)benzenemethanol
CID 9470
4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
Cdk5-IN-3
CID 156212722
Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
8-(Cyclohexylmethyl)-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215564
3-(2-Morpholino-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl)phenol
CID 53325515
6-(6-(2-Hydroxypropan-2-yl)pyridin-3-yl)-4-((tetrahydro-2H-pyran-4-yl)methyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
CID 58298312
2-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453060
5-(4-Hydroxycyclohexyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453076
3-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453133
4-[[2-(2-Phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793111

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).