1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine

C27H34N6 — CID 133349158

IUPAC1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine
SMILESCc1cnc(N2CCC(Nc3ccccc3)CC2)nc1N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C27H34N6/c1-21-20-28-27(33-18-14-25(15-19-33)30-23-10-6-3-7-11-23)31-26(21)32-16-12-24(13-17-32)29-22-8-4-2-5-9-22/h2-11,20,24-25,29-30H,12-19H2,1H3
InChIKeyHXUQYPZVXCVLJI-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.95
Rot. Bonds6

About 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine

1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine (PubChem CID 133349158) has the molecular formula C27H34N6 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine
PubChem CID133349158
Molecular FormulaC27H34N6
Molecular Weight442.61 g/mol
Exact Mass442.28
IUPAC Name1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine
SMILESCc1cnc(N2CCC(Nc3ccccc3)CC2)nc1N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C27H34N6/c1-21-20-28-27(33-18-14-25(15-19-33)30-23-10-6-3-7-11-23)31-26(21)32-16-12-24(13-17-32)29-22-8-4-2-5-9-22/h2-11,20,24-25,29-30H,12-19H2,1H3
InChIKeyHXUQYPZVXCVLJI-UHFFFAOYSA-N
XLogP4.95
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157
ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
CID 133468930
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
CID 133301489
1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
CID 91648209
N-cyclopropylaniline;hydrochloride
CID 44717153
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 123184963
1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine
CID 133403074
5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine
CID 133360054
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine?
The IUPAC name of 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine (CID 133349158) is 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine?
The canonical SMILES for 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine is Cc1cnc(N2CCC(Nc3ccccc3)CC2)nc1N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine?
The InChIKey is HXUQYPZVXCVLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6/c1-21-20-28-27(33-18-14-25(15-19-33)30-23-10-6-3-7-11-23)31-26(21)32-16-12-24(13-17-32)29-22-8-4-2-5-9-22/h2-11,20,24-25,29-30H,12-19H2,1H3.
What are the key properties of 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine?
1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine has a molecular weight of 442.61 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine is sourced from PubChem (CID 133349158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).