4-(2-piperidin-1-ylethyl)benzene-1,3-diamine

C13H21N3 — CID 21398319

IUPAC4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
SMILESNc1ccc(CCN2CCCCC2)c(N)c1
InChIInChI=1S/C13H21N3/c14-12-5-4-11(13(15)10-12)6-9-16-7-2-1-3-8-16/h4-5,10H,1-3,6-9,14-15H2
InChIKeyRCBJPQNTJRQYHE-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.88
Rot. Bonds3

About 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine

4-(2-piperidin-1-ylethyl)benzene-1,3-diamine (PubChem CID 21398319) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
PubChem CID21398319
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
SMILESNc1ccc(CCN2CCCCC2)c(N)c1
InChIInChI=1S/C13H21N3/c14-12-5-4-11(13(15)10-12)6-9-16-7-2-1-3-8-16/h4-5,10H,1-3,6-9,14-15H2
InChIKeyRCBJPQNTJRQYHE-UHFFFAOYSA-N
XLogP1.88
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.88
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-chloro-4-(2-pyrrolidin-1-ylethyl)aniline
CID 68818430
5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline
CID 89145585
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
4-(pyrrolidin-1-ylmethyl)benzene-1,3-diamine;hydrochloride
CID 22328120
2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
CID 69243244
1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
CID 57421481
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
3-(2,4-diaminophenyl)propane-1-thiol
CID 57273820
2-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 151369939
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
The IUPAC name of 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine (CID 21398319) is 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine is Nc1ccc(CCN2CCCCC2)c(N)c1.
What is the InChIKey of 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
The InChIKey is RCBJPQNTJRQYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-12-5-4-11(13(15)10-12)6-9-16-7-2-1-3-8-16/h4-5,10H,1-3,6-9,14-15H2.
What are the key properties of 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
4-(2-piperidin-1-ylethyl)benzene-1,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 21398319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).