1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C15H24N4O2 — CID 50979330

IUPAC1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCOc1cc(N2CCC(O)(CN3CCCC3)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-21-14-10-13(16-12-17-14)19-8-4-15(20,5-9-19)11-18-6-2-3-7-18/h10,12,20H,2-9,11H2,1H3
InChIKeyOKEGOBGMMTZDLH-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.91
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 50979330) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID50979330
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCOc1cc(N2CCC(O)(CN3CCCC3)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-21-14-10-13(16-12-17-14)19-8-4-15(20,5-9-19)11-18-6-2-3-7-18/h10,12,20H,2-9,11H2,1H3
InChIKeyOKEGOBGMMTZDLH-UHFFFAOYSA-N
XLogP0.91
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-Methoxypyrimidin-4-yl)morpholine
CID 3242788
(4S*)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol
CID 70729801
(3R*,4R*)-3-cyclopropyl-1-(6-methoxy-4-pyrimidinyl)-4-methyl-3-pyrrolidinol
CID 72866606
(3R*,4R*)-1-(2-amino-6-methoxy-4-pyrimidinyl)-3-cyclopropyl-4-methyl-3-pyrrolidinol
CID 72888379
4-Methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 84590088
(3aS,7aS)-2-(6-methoxypyrimidin-4-yl)-5-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97402573
9-(6-Methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471375
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
3-(Methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 118744836
8-(6-Methoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118745535
(2R*,6S*)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 50954831
(4-{[(6-methoxypyrimidin-4-yl)(methyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 50969405

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 50979330) is 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is COc1cc(N2CCC(O)(CN3CCCC3)CC2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is OKEGOBGMMTZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-14-10-13(16-12-17-14)19-8-4-15(20,5-9-19)11-18-6-2-3-7-18/h10,12,20H,2-9,11H2,1H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 292.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 50979330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).