3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol

C14H24N4O — CID 50975625

IUPAC3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol
SMILESCCN(C)c1ccnc(N2CCCC(O)(CC)C2)n1
InChIInChI=1S/C14H24N4O/c1-4-14(19)8-6-10-18(11-14)13-15-9-7-12(16-13)17(3)5-2/h7,9,19H,4-6,8,10-11H2,1-3H3
InChIKeyPCOCPEXCVBKSDM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds4

About 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol

3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol (PubChem CID 50975625) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol
PubChem CID50975625
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol
SMILESCCN(C)c1ccnc(N2CCCC(O)(CC)C2)n1
InChIInChI=1S/C14H24N4O/c1-4-14(19)8-6-10-18(11-14)13-15-9-7-12(16-13)17(3)5-2/h7,9,19H,4-6,8,10-11H2,1-3H3
InChIKeyPCOCPEXCVBKSDM-UHFFFAOYSA-N
XLogP1.67
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
1-(2-Chloropyrimidin-4-Yl)Piperidin-3-Ol
CID 22309476
[1-(Pyrimidin-4-yl)piperidin-2-yl]methanol
CID 61254152
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72858871
1-[[4-(Pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 95826923
2-(8-Pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol
CID 118739115
4-[[4-(Pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
CID 118739974
1-(Pyrimidin-2-yl)piperidin-3-ol
CID 24097085
{1-[(Pyrimidin-2-yl)methyl]piperidin-4-yl}methanol
CID 62699790
(1R*,3S*)-7-(4-amino-2-pyrimidinyl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 72861881
(4S)-3,3,4-trimethyl-1-(2-pyrimidinylmethyl)-4-piperidinol
CID 72908514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol (CID 50975625) is 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol is CCN(C)c1ccnc(N2CCCC(O)(CC)C2)n1.
What is the InChIKey of 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is PCOCPEXCVBKSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-14(19)8-6-10-18(11-14)13-15-9-7-12(16-13)17(3)5-2/h7,9,19H,4-6,8,10-11H2,1-3H3.
What are the key properties of 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol?
3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 50975625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).