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

C13H21N3 — CID 22184580

IUPAC2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccccc1N)C1CCCNC1
InChIInChI=1S/C13H21N3/c1-10(11-5-4-8-15-9-11)16-13-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16H,4-5,8-9,14H2,1H3
InChIKeyFPFCHZGSSCWOGD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.07
Rot. Bonds3

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

2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine (PubChem CID 22184580) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine
PubChem CID22184580
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccccc1N)C1CCCNC1
InChIInChI=1S/C13H21N3/c1-10(11-5-4-8-15-9-11)16-13-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16H,4-5,8-9,14H2,1H3
InChIKeyFPFCHZGSSCWOGD-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
CID 114884744
N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62046745
3-methyl-2-(1-piperidin-3-ylethylamino)benzonitrile
CID 107111358
4,6-dimethyl-N-(1-piperidin-3-ylethyl)pyrimidin-2-amine
CID 62044870
5-methyl-N-(1-piperidin-3-ylethyl)pyridin-2-amine
CID 62045704
4-bromo-2-nitro-N-(1-piperidin-3-ylethyl)aniline
CID 62047256
3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine
CID 62045707
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
6-methyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047261
3-(1-piperidin-3-ylethylamino)pyrazine-2-carboxamide
CID 62685001

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine (CID 22184580) is 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine is CC(Nc1ccccc1N)C1CCCNC1.
What is the InChIKey of 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine?
The InChIKey is FPFCHZGSSCWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(11-5-4-8-15-9-11)16-13-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16H,4-5,8-9,14H2,1H3.
What are the key properties of 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine?
2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 22184580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).