[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C20H30N4O — CID 100909966

IUPAC[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(c2cc(N3CCC[C@]4(CC=CCC4)C3)ncn2)C1
InChIInChI=1S/C20H30N4O/c25-14-17-6-4-10-23(13-17)18-12-19(22-16-21-18)24-11-5-9-20(15-24)7-2-1-3-8-20/h1-2,12,16-17,25H,3-11,13-15H2/t17-,20-/m1/s1
InChIKeyZBSVEZRWRSHKRM-YLJYHZDGSA-N
MW342.49 g/mol
LogP3.01
Rot. Bonds3

About [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 100909966) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID100909966
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(c2cc(N3CCC[C@]4(CC=CCC4)C3)ncn2)C1
InChIInChI=1S/C20H30N4O/c25-14-17-6-4-10-23(13-17)18-12-19(22-16-21-18)24-11-5-9-20(15-24)7-2-1-3-8-20/h1-2,12,16-17,25H,3-11,13-15H2/t17-,20-/m1/s1
InChIKeyZBSVEZRWRSHKRM-YLJYHZDGSA-N
XLogP3.01
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
[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]-methylamino]methyl]cyclopentan-1-ol
CID 138996094
[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300724
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
[1-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133465663
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
[1-[6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297380
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 100909966) is [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is OC[C@@H]1CCCN(c2cc(N3CCC[C@]4(CC=CCC4)C3)ncn2)C1.
What is the InChIKey of [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is ZBSVEZRWRSHKRM-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H30N4O/c25-14-17-6-4-10-23(13-17)18-12-19(22-16-21-18)24-11-5-9-20(15-24)7-2-1-3-8-20/h1-2,12,16-17,25H,3-11,13-15H2/t17-,20-/m1/s1.
What are the key properties of [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 342.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 100909966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).