4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine

C20H26ClN5 — CID 112863132

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)C1
InChIInChI=1S/C20H26ClN5/c1-16-4-3-7-26(14-16)20-13-19(22-15-23-20)25-10-8-24(9-11-25)18-6-2-5-17(21)12-18/h2,5-6,12-13,15-16H,3-4,7-11,14H2,1H3
InChIKeyIUPLCTLJVBPXPE-UHFFFAOYSA-N
MW371.92 g/mol
LogP3.69
Rot. Bonds3

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 112863132) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID112863132
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)C1
InChIInChI=1S/C20H26ClN5/c1-16-4-3-7-26(14-16)20-13-19(22-15-23-20)25-10-8-24(9-11-25)18-6-2-5-17(21)12-18/h2,5-6,12-13,15-16H,3-4,7-11,14H2,1H3
InChIKeyIUPLCTLJVBPXPE-UHFFFAOYSA-N
XLogP3.69
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 29105838
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109124005
(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 129374202
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108965472
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338891
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341438
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109166494

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine (CID 112863132) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine is CC1CCCN(c2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)C1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is IUPLCTLJVBPXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5/c1-16-4-3-7-26(14-16)20-13-19(22-15-23-20)25-10-8-24(9-11-25)18-6-2-5-17(21)12-18/h2,5-6,12-13,15-16H,3-4,7-11,14H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 371.92 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 112863132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).