4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine

C18H22Cl2N6 — CID 133297534

IUPAC4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESClc1cnc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(Cl)c1
InChIInChI=1S/C18H22Cl2N6/c19-14-10-15(20)18(21-12-14)26-8-6-25(7-9-26)17-11-16(22-13-23-17)24-4-2-1-3-5-24/h10-13H,1-9H2
InChIKeyAKEAYKSDUNKKKG-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.50
Rot. Bonds3

About 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine

4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine (PubChem CID 133297534) has the molecular formula C18H22Cl2N6 and a molecular weight of 393.32 g/mol. Its IUPAC name is 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
PubChem CID133297534
Molecular FormulaC18H22Cl2N6
Molecular Weight393.32 g/mol
Exact Mass392.13
IUPAC Name4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESClc1cnc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(Cl)c1
InChIInChI=1S/C18H22Cl2N6/c19-14-10-15(20)18(21-12-14)26-8-6-25(7-9-26)17-11-16(22-13-23-17)24-4-2-1-3-5-24/h10-13H,1-9H2
InChIKeyAKEAYKSDUNKKKG-UHFFFAOYSA-N
XLogP3.50
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
6-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 60870790
4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165434180
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
CID 128509432
4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 165434047
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
CID 4822698
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine
CID 59019495
3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 60871429

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine (CID 133297534) is 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine is Clc1cnc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(Cl)c1.
What is the InChIKey of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The InChIKey is AKEAYKSDUNKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N6/c19-14-10-15(20)18(21-12-14)26-8-6-25(7-9-26)17-11-16(22-13-23-17)24-4-2-1-3-5-24/h10-13H,1-9H2.
What are the key properties of 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine has a molecular weight of 393.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 133297534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).