4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride

C19H26Cl2N4O — CID 165432105

IUPAC4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(N3CCOCC3)nc(C3CCNCC3)n2)cc1
InChIInChI=1S/C19H24N4O.2ClH/c1-2-4-15(5-3-1)17-14-18(23-10-12-24-13-11-23)22-19(21-17)16-6-8-20-9-7-16;;/h1-5,14,16,20H,6-13H2;2*1H
InChIKeyIXYAQASBWRWDCY-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.29
Rot. Bonds3

About 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride

4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride (PubChem CID 165432105) has the molecular formula C19H26Cl2N4O and a molecular weight of 397.35 g/mol. Its IUPAC name is 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride.

Molecular Properties

Compound Name4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
PubChem CID165432105
Molecular FormulaC19H26Cl2N4O
Molecular Weight397.35 g/mol
Exact Mass396.15
IUPAC Name4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(N3CCOCC3)nc(C3CCNCC3)n2)cc1
InChIInChI=1S/C19H24N4O.2ClH/c1-2-4-15(5-3-1)17-14-18(23-10-12-24-13-11-23)22-19(21-17)16-6-8-20-9-7-16;;/h1-5,14,16,20H,6-13H2;2*1H
InChIKeyIXYAQASBWRWDCY-UHFFFAOYSA-N
XLogP3.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
CID 163346691
5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
CID 59198406
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549353
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride?
The IUPAC name of 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride (CID 165432105) is 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride.
What is the SMILES notation for 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride?
The canonical SMILES for 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride is Cl.Cl.c1ccc(-c2cc(N3CCOCC3)nc(C3CCNCC3)n2)cc1.
What is the InChIKey of 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride?
The InChIKey is IXYAQASBWRWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.2ClH/c1-2-4-15(5-3-1)17-14-18(23-10-12-24-13-11-23)22-19(21-17)16-6-8-20-9-7-16;;/h1-5,14,16,20H,6-13H2;2*1H.
What are the key properties of 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride?
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride has a molecular weight of 397.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride is sourced from PubChem (CID 165432105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).