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

C18H23ClN4O — CID 56710901

IUPAC1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nc(CCN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H23ClN4O/c1-13-21-16(6-9-20)12-17(22-13)23-10-7-18(24,8-11-23)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11,20H2,1H3
InChIKeyFZLXLEHSXBQMMS-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.43
Rot. Bonds4

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

1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 56710901) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID56710901
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nc(CCN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H23ClN4O/c1-13-21-16(6-9-20)12-17(22-13)23-10-7-18(24,8-11-23)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11,20H2,1H3
InChIKeyFZLXLEHSXBQMMS-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-[1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol
CID 57336186
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
2-[1-[6-[(4-Chlorophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol
CID 57396047
2-[1-[6-[2-(4-Chlorophenyl)propan-2-ylamino]pyrimidin-4-yl]piperidin-3-yl]propan-2-ol
CID 57403009
4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL
CID 72879432
(4-Chlorophenyl)-(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol
CID 56665857
(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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol (CID 56710901) is 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol is Cc1nc(CCN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is FZLXLEHSXBQMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-21-16(6-9-20)12-17(22-13)23-10-7-18(24,8-11-23)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11,20H2,1H3.
What are the key properties of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 346.86 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 56710901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).