4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine

C23H25ClN4 — CID 110093384

IUPAC4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)nc(C)n1
InChIInChI=1S/C23H25ClN4/c1-16-12-23(27-17(2)26-16)28-10-8-20(9-11-28)22-7-6-19(15-25-22)13-18-4-3-5-21(24)14-18/h3-7,12,14-15,20H,8-11,13H2,1-2H3
InChIKeyQRFFRTLLYYLTHY-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.12
Rot. Bonds4

About 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine

4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 110093384) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
PubChem CID110093384
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)nc(C)n1
InChIInChI=1S/C23H25ClN4/c1-16-12-23(27-17(2)26-16)28-10-8-20(9-11-28)22-7-6-19(15-25-22)13-18-4-3-5-21(24)14-18/h3-7,12,14-15,20H,8-11,13H2,1-2H3
InChIKeyQRFFRTLLYYLTHY-UHFFFAOYSA-N
XLogP5.12
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine (CID 110093384) is 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)nc(C)n1.
What is the InChIKey of 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is QRFFRTLLYYLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-16-12-23(27-17(2)26-16)28-10-8-20(9-11-28)22-7-6-19(15-25-22)13-18-4-3-5-21(24)14-18/h3-7,12,14-15,20H,8-11,13H2,1-2H3.
What are the key properties of 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 392.93 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 110093384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).