3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

C19H23ClN4O — CID 91768299

IUPAC3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCC(Oc4cccc(Cl)c4)CC3)ncn2)C1
InChIInChI=1S/C19H23ClN4O/c20-14-2-1-3-17(10-14)25-16-4-6-24(7-5-16)19-11-18(22-12-23-19)13-8-15(21)9-13/h1-3,10-13,15-16H,4-9,21H2
InChIKeyASXBYSVBNKWWQT-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.38
Rot. Bonds4

About 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91768299) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91768299
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCC(Oc4cccc(Cl)c4)CC3)ncn2)C1
InChIInChI=1S/C19H23ClN4O/c20-14-2-1-3-17(10-14)25-16-4-6-24(7-5-16)19-11-18(22-12-23-19)13-8-15(21)9-13/h1-3,10-13,15-16H,4-9,21H2
InChIKeyASXBYSVBNKWWQT-UHFFFAOYSA-N
XLogP3.38
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (CID 91768299) is 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is NC1CC(c2cc(N3CCC(Oc4cccc(Cl)c4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is ASXBYSVBNKWWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-14-2-1-3-17(10-14)25-16-4-6-24(7-5-16)19-11-18(22-12-23-19)13-8-15(21)9-13/h1-3,10-13,15-16H,4-9,21H2.
What are the key properties of 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 358.87 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(3-chlorophenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91768299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).