1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol

C15H24N4O2 — CID 136583774

IUPAC1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCO[C@H]1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)C1
InChIInChI=1S/C15H24N4O2/c1-15(20)4-7-18(8-5-15)13-9-14(17-11-16-13)19-6-3-12(10-19)21-2/h9,11-12,20H,3-8,10H2,1-2H3/t12-/m0/s1
InChIKeyATGWCTVCKAWBEH-LBPRGKRZSA-N
MW292.38 g/mol
LogP1.05
Rot. Bonds3

About 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 136583774) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID136583774
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCO[C@H]1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)C1
InChIInChI=1S/C15H24N4O2/c1-15(20)4-7-18(8-5-15)13-9-14(17-11-16-13)19-6-3-12(10-19)21-2/h9,11-12,20H,3-8,10H2,1-2H3/t12-/m0/s1
InChIKeyATGWCTVCKAWBEH-LBPRGKRZSA-N
XLogP1.05
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 71845929
[1-[6-(4-Cyclopentyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144564
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
1-{6-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72878549
1-{6-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72912658
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[6-(4-morpholinyl)-4-pyrimidinyl]-4-piperidinol
CID 72933005
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
8-(6-Morpholin-4-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 155545438
1-{6-[2-(Trifluoromethyl)morpholin-4-YL]pyrimidin-4-YL}piperidin-4-OL
CID 56865177
(3R*,4S*)-3,4-dimethyl-1-[6-(4-morpholinyl)-4-pyrimidinyl]-4-piperidinol
CID 72915704
1-[Methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95400903

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 136583774) is 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol is CO[C@H]1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)C1.
What is the InChIKey of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is ATGWCTVCKAWBEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(20)4-7-18(8-5-15)13-9-14(17-11-16-13)19-6-3-12(10-19)21-2/h9,11-12,20H,3-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 292.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 136583774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).