3-(1-propylpiperidin-3-yl)aniline;hydrochloride

C14H23ClN2 — CID 23045626

IUPAC3-(1-propylpiperidin-3-yl)aniline;hydrochloride
SMILESCCCN1CCCC(c2cccc(N)c2)C1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12;/h3,5,7,10,13H,2,4,6,8-9,11,15H2,1H3;1H
InChIKeyGWLUVEXOMYTFLE-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.28
Rot. Bonds3

About 3-(1-propylpiperidin-3-yl)aniline;hydrochloride

3-(1-propylpiperidin-3-yl)aniline;hydrochloride (PubChem CID 23045626) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 3-(1-propylpiperidin-3-yl)aniline;hydrochloride.

Molecular Properties

Compound Name3-(1-propylpiperidin-3-yl)aniline;hydrochloride
PubChem CID23045626
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name3-(1-propylpiperidin-3-yl)aniline;hydrochloride
SMILESCCCN1CCCC(c2cccc(N)c2)C1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12;/h3,5,7,10,13H,2,4,6,8-9,11,15H2,1H3;1H
InChIKeyGWLUVEXOMYTFLE-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylpiperidin-3-yl)aniline;hydrochloride?
The IUPAC name of 3-(1-propylpiperidin-3-yl)aniline;hydrochloride (CID 23045626) is 3-(1-propylpiperidin-3-yl)aniline;hydrochloride.
What is the SMILES notation for 3-(1-propylpiperidin-3-yl)aniline;hydrochloride?
The canonical SMILES for 3-(1-propylpiperidin-3-yl)aniline;hydrochloride is CCCN1CCCC(c2cccc(N)c2)C1.Cl.
What is the InChIKey of 3-(1-propylpiperidin-3-yl)aniline;hydrochloride?
The InChIKey is GWLUVEXOMYTFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12;/h3,5,7,10,13H,2,4,6,8-9,11,15H2,1H3;1H.
What are the key properties of 3-(1-propylpiperidin-3-yl)aniline;hydrochloride?
3-(1-propylpiperidin-3-yl)aniline;hydrochloride has a molecular weight of 254.80 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylpiperidin-3-yl)aniline;hydrochloride is sourced from PubChem (CID 23045626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).