5-(aminomethyl)-2-piperidin-1-ylaniline

C12H19N3 — CID 82506966

IUPAC5-(aminomethyl)-2-piperidin-1-ylaniline
SMILESNCc1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C12H19N3/c13-9-10-4-5-12(11(14)8-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,13-14H2
InChIKeyUVBQRNLTXNNDKF-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.72
Rot. Bonds2

About 5-(aminomethyl)-2-piperidin-1-ylaniline

5-(aminomethyl)-2-piperidin-1-ylaniline (PubChem CID 82506966) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 5-(aminomethyl)-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name5-(aminomethyl)-2-piperidin-1-ylaniline
PubChem CID82506966
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name5-(aminomethyl)-2-piperidin-1-ylaniline
SMILESNCc1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C12H19N3/c13-9-10-4-5-12(11(14)8-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,13-14H2
InChIKeyUVBQRNLTXNNDKF-UHFFFAOYSA-N
XLogP1.72
TPSA55.28 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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-pyrrolidin-1-ylphenyl)methanol
CID 94830386
5-benzyl-2-pyrrolidin-1-ylaniline
CID 39356087
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
N-[3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl]cyclooctanamine
CID 39113096
5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
CID 82071739
3-amino-4-(azepan-1-yl)benzonitrile
CID 43517941
5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
CID 39112407
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-piperidin-1-ylaniline?
The IUPAC name of 5-(aminomethyl)-2-piperidin-1-ylaniline (CID 82506966) is 5-(aminomethyl)-2-piperidin-1-ylaniline.
What is the SMILES notation for 5-(aminomethyl)-2-piperidin-1-ylaniline?
The canonical SMILES for 5-(aminomethyl)-2-piperidin-1-ylaniline is NCc1ccc(N2CCCCC2)c(N)c1.
What is the InChIKey of 5-(aminomethyl)-2-piperidin-1-ylaniline?
The InChIKey is UVBQRNLTXNNDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-9-10-4-5-12(11(14)8-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,13-14H2.
What are the key properties of 5-(aminomethyl)-2-piperidin-1-ylaniline?
5-(aminomethyl)-2-piperidin-1-ylaniline has a molecular weight of 205.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-piperidin-1-ylaniline is sourced from PubChem (CID 82506966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).