4-[amino-(1-methylpiperidin-3-yl)methyl]aniline

C13H21N3 — CID 116936840

IUPAC4-[amino-(1-methylpiperidin-3-yl)methyl]aniline
SMILESCN1CCCC(C(N)c2ccc(N)cc2)C1
InChIInChI=1S/C13H21N3/c1-16-8-2-3-11(9-16)13(15)10-4-6-12(14)7-5-10/h4-7,11,13H,2-3,8-9,14-15H2,1H3
InChIKeyPOBICJDBFAQAEU-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.61
Rot. Bonds2

About 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline

4-[amino-(1-methylpiperidin-3-yl)methyl]aniline (PubChem CID 116936840) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[amino-(1-methylpiperidin-3-yl)methyl]aniline
PubChem CID116936840
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[amino-(1-methylpiperidin-3-yl)methyl]aniline
SMILESCN1CCCC(C(N)c2ccc(N)cc2)C1
InChIInChI=1S/C13H21N3/c1-16-8-2-3-11(9-16)13(15)10-4-6-12(14)7-5-10/h4-7,11,13H,2-3,8-9,14-15H2,1H3
InChIKeyPOBICJDBFAQAEU-UHFFFAOYSA-N
XLogP1.61
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.61
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

4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline
CID 116936927
4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
CID 83855822
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
2-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 115031027
4-[(1-methylpiperidin-3-yl)sulfanylmethyl]aniline
CID 84750871
[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040388
acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
CID 145244362
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine
CID 117095330
3-[hydroxy-(1-methylpiperidin-3-yl)methyl]benzoic acid
CID 83856040
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline?
The IUPAC name of 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline (CID 116936840) is 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline.
What is the SMILES notation for 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline?
The canonical SMILES for 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline is CN1CCCC(C(N)c2ccc(N)cc2)C1.
What is the InChIKey of 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline?
The InChIKey is POBICJDBFAQAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-8-2-3-11(9-16)13(15)10-4-6-12(14)7-5-10/h4-7,11,13H,2-3,8-9,14-15H2,1H3.
What are the key properties of 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline?
4-[amino-(1-methylpiperidin-3-yl)methyl]aniline has a molecular weight of 219.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(1-methylpiperidin-3-yl)methyl]aniline is sourced from PubChem (CID 116936840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).