1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine

C12H19ClN4 — CID 62344447

IUPAC1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4/c1-16(2)9-10-4-7-17(8-5-10)11-3-6-14-12(13)15-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyMRZSDLWWWOHFMQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.91
Rot. Bonds3

About 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 62344447) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID62344447
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4/c1-16(2)9-10-4-7-17(8-5-10)11-3-6-14-12(13)15-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyMRZSDLWWWOHFMQ-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 62344447) is 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is MRZSDLWWWOHFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-16(2)9-10-4-7-17(8-5-10)11-3-6-14-12(13)15-11/h3,6,10H,4-5,7-9H2,1-2H3.
What are the key properties of 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 254.76 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62344447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).