(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C22H30N4O — CID 99942839

IUPAC(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O/c27-21(20-8-4-5-11-23-20)18-9-12-26(13-10-18)16-17-14-24-22(25-15-17)19-6-2-1-3-7-19/h4-5,8,11,14-15,18-19,21,27H,1-3,6-7,9-10,12-13,16H2/t21-/m0/s1
InChIKeyYFMJZRJFLMEEJB-NRFANRHFSA-N
MW366.51 g/mol
LogP3.86
Rot. Bonds5

About (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 99942839) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID99942839
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O/c27-21(20-8-4-5-11-23-20)18-9-12-26(13-10-18)16-17-14-24-22(25-15-17)19-6-2-1-3-7-19/h4-5,8,11,14-15,18-19,21,27H,1-3,6-7,9-10,12-13,16H2/t21-/m0/s1
InChIKeyYFMJZRJFLMEEJB-NRFANRHFSA-N
XLogP3.86
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-[1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99933667
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99946557
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193333
pyridin-2-yl-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]methanol
CID 77082634
3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 77081794
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124750427
[1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 118771614
N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110229233
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 124844163
(S)-pyridin-2-yl-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 67744575
[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 91842140

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 99942839) is (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is O[C@H](c1ccccn1)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1.
What is the InChIKey of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is YFMJZRJFLMEEJB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N4O/c27-21(20-8-4-5-11-23-20)18-9-12-26(13-10-18)16-17-14-24-22(25-15-17)19-6-2-1-3-7-19/h4-5,8,11,14-15,18-19,21,27H,1-3,6-7,9-10,12-13,16H2/t21-/m0/s1.
What are the key properties of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 366.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 99942839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).