[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C20H32N4O2 — CID 133300212

IUPAC[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(N2CCC(OC3CCCCC3)CC2)ncn1
InChIInChI=1S/C20H32N4O2/c25-14-16-5-4-10-24(16)20-13-19(21-15-22-20)23-11-8-18(9-12-23)26-17-6-2-1-3-7-17/h13,15-18,25H,1-12,14H2
InChIKeyGSVNFISQLRNRFK-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.76
Rot. Bonds5

About [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133300212) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133300212
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(N2CCC(OC3CCCCC3)CC2)ncn1
InChIInChI=1S/C20H32N4O2/c25-14-16-5-4-10-24(16)20-13-19(21-15-22-20)23-11-8-18(9-12-23)26-17-6-2-1-3-7-17/h13,15-18,25H,1-12,14H2
InChIKeyGSVNFISQLRNRFK-UHFFFAOYSA-N
XLogP2.76
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946
[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 126798700
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95763836
[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395858
[1-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298633
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133335943

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133300212) is [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(N2CCC(OC3CCCCC3)CC2)ncn1.
What is the InChIKey of [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is GSVNFISQLRNRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c25-14-16-5-4-10-24(16)20-13-19(21-15-22-20)23-11-8-18(9-12-23)26-17-6-2-1-3-7-17/h13,15-18,25H,1-12,14H2.
What are the key properties of [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 360.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133300212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).