4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine

C20H32N4O2 — CID 133453244

IUPAC4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESCC1CCCN(c2cc(N3CCC(OCC4CCOC4)CC3)ncn2)C1
InChIInChI=1S/C20H32N4O2/c1-16-3-2-7-24(12-16)20-11-19(21-15-22-20)23-8-4-18(5-9-23)26-14-17-6-10-25-13-17/h11,15-18H,2-10,12-14H2,1H3
InChIKeyPOWJFWOVIHQGSJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.73
Rot. Bonds5

About 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine

4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine (PubChem CID 133453244) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
PubChem CID133453244
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESCC1CCCN(c2cc(N3CCC(OCC4CCOC4)CC3)ncn2)C1
InChIInChI=1S/C20H32N4O2/c1-16-3-2-7-24(12-16)20-11-19(21-15-22-20)23-8-4-18(5-9-23)26-14-17-6-10-25-13-17/h11,15-18H,2-10,12-14H2,1H3
InChIKeyPOWJFWOVIHQGSJ-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 133453180
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179
8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
CID 133453289
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017
2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453081
4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444237
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 127303052
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
CID 133453174
(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 129374202

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine (CID 133453244) is 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine is CC1CCCN(c2cc(N3CCC(OCC4CCOC4)CC3)ncn2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
The InChIKey is POWJFWOVIHQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16-3-2-7-24(12-16)20-11-19(21-15-22-20)23-8-4-18(5-9-23)26-14-17-6-10-25-13-17/h11,15-18H,2-10,12-14H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine?
4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine has a molecular weight of 360.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133453244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).