1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol

C17H21ClN4O — CID 56709031

IUPAC1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nc(CN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H21ClN4O/c1-12-20-15(11-19)10-16(21-12)22-8-6-17(23,7-9-22)13-2-4-14(18)5-3-13/h2-5,10,23H,6-9,11,19H2,1H3
InChIKeySFOUGKVSAYGYBY-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.39
Rot. Bonds3

About 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol

1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 56709031) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID56709031
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nc(CN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H21ClN4O/c1-12-20-15(11-19)10-16(21-12)22-8-6-17(23,7-9-22)13-2-4-14(18)5-3-13/h2-5,10,23H,6-9,11,19H2,1H3
InChIKeySFOUGKVSAYGYBY-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(4-Chlorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44203731
4-(4-Chlorophenyl)-1-(5-methyl-2-phenylquinazolin-4-yl)piperidin-4-ol
CID 1803196
1-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethanol
CID 323915
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 117871038
4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL
CID 72879432
(4-Chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol
CID 56676127
(2-Aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 56682758
1-(2-chlorophenyl)-2-[(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]ethanol
CID 46982451
1-[6-(2-Aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol
CID 56708909
1-[6-(2-Aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
CID 56710901
2-(4-Chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine
CID 56878398
(4-Chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol
CID 56658647

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol (CID 56709031) is 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol is Cc1nc(CN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is SFOUGKVSAYGYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-20-15(11-19)10-16(21-12)22-8-6-17(23,7-9-22)13-2-4-14(18)5-3-13/h2-5,10,23H,6-9,11,19H2,1H3.
What are the key properties of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 332.84 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 56709031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).