N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine

C14H23N3O — CID 114697347

IUPACN-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NC1(C)CCNCC1
InChIInChI=1S/C14H23N3O/c1-11(2)18-12-5-4-8-16-13(12)17-14(3)6-9-15-10-7-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyQBLBIYIFGJAODN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.42
Rot. Bonds4

About N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine

N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine (PubChem CID 114697347) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine
PubChem CID114697347
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NC1(C)CCNCC1
InChIInChI=1S/C14H23N3O/c1-11(2)18-12-5-4-8-16-13(12)17-14(3)6-9-15-10-7-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyQBLBIYIFGJAODN-UHFFFAOYSA-N
XLogP2.42
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine (CID 114697347) is N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cccnc1NC1(C)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine?
The InChIKey is QBLBIYIFGJAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)18-12-5-4-8-16-13(12)17-14(3)6-9-15-10-7-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine?
N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 114697347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).