1-[4-(methylamino)phenyl]piperidin-3-amine

C12H19N3 — CID 171622540

IUPAC1-[4-(methylamino)phenyl]piperidin-3-amine
SMILESCNc1ccc(N2CCCC(N)C2)cc1
InChIInChI=1S/C12H19N3/c1-14-11-4-6-12(7-5-11)15-8-2-3-10(13)9-15/h4-7,10,14H,2-3,8-9,13H2,1H3
InChIKeyAOKSCUTZRNBUNF-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.66
Rot. Bonds2

About 1-[4-(methylamino)phenyl]piperidin-3-amine

1-[4-(methylamino)phenyl]piperidin-3-amine (PubChem CID 171622540) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]piperidin-3-amine
PubChem CID171622540
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-[4-(methylamino)phenyl]piperidin-3-amine
SMILESCNc1ccc(N2CCCC(N)C2)cc1
InChIInChI=1S/C12H19N3/c1-14-11-4-6-12(7-5-11)15-8-2-3-10(13)9-15/h4-7,10,14H,2-3,8-9,13H2,1H3
InChIKeyAOKSCUTZRNBUNF-UHFFFAOYSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)phenyl]piperidin-3-amine?
The IUPAC name of 1-[4-(methylamino)phenyl]piperidin-3-amine (CID 171622540) is 1-[4-(methylamino)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(methylamino)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[4-(methylamino)phenyl]piperidin-3-amine is CNc1ccc(N2CCCC(N)C2)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]piperidin-3-amine?
The InChIKey is AOKSCUTZRNBUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-11-4-6-12(7-5-11)15-8-2-3-10(13)9-15/h4-7,10,14H,2-3,8-9,13H2,1H3.
What are the key properties of 1-[4-(methylamino)phenyl]piperidin-3-amine?
1-[4-(methylamino)phenyl]piperidin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]piperidin-3-amine is sourced from PubChem (CID 171622540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).