[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C19H28N6O — CID 133300724

IUPAC[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCn1nccc1C1CCN(c2cc(N3CCCC(CO)C3)ncn2)CC1
InChIInChI=1S/C19H28N6O/c1-23-17(4-7-22-23)16-5-9-24(10-6-16)18-11-19(21-14-20-18)25-8-2-3-15(12-25)13-26/h4,7,11,14-16,26H,2-3,5-6,8-10,12-13H2,1H3
InChIKeyMWDQRJGLSRISPG-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.80
Rot. Bonds4

About [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133300724) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133300724
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCn1nccc1C1CCN(c2cc(N3CCCC(CO)C3)ncn2)CC1
InChIInChI=1S/C19H28N6O/c1-23-17(4-7-22-23)16-5-9-24(10-6-16)18-11-19(21-14-20-18)25-8-2-3-15(12-25)13-26/h4,7,11,14-16,26H,2-3,5-6,8-10,12-13H2,1H3
InChIKeyMWDQRJGLSRISPG-UHFFFAOYSA-N
XLogP1.80
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
[1-[6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297380
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297387
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
[1-[6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133348274
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305541
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300552
[1-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133465663

Frequently Asked Questions

What is the IUPAC name of [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133300724) is [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is Cn1nccc1C1CCN(c2cc(N3CCCC(CO)C3)ncn2)CC1.
What is the InChIKey of [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is MWDQRJGLSRISPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-17(4-7-22-23)16-5-9-24(10-6-16)18-11-19(21-14-20-18)25-8-2-3-15(12-25)13-26/h4,7,11,14-16,26H,2-3,5-6,8-10,12-13H2,1H3.
What are the key properties of [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133300724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).