3-[(3S)-1-propylpiperidin-3-yl]aniline

C14H22N2 — CID 10013665

IUPAC3-[(3S)-1-propylpiperidin-3-yl]aniline
SMILESCCCN1CCC[C@@H](c2cccc(N)c2)C1
InChIInChI=1S/C14H22N2/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/t13-/m1/s1
InChIKeyJQISQMHONBYOCE-CYBMUJFWSA-N
MW218.34 g/mol
LogP2.86
Rot. Bonds3

About 3-[(3S)-1-propylpiperidin-3-yl]aniline

3-[(3S)-1-propylpiperidin-3-yl]aniline (PubChem CID 10013665) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(3S)-1-propylpiperidin-3-yl]aniline.

Molecular Properties

Compound Name3-[(3S)-1-propylpiperidin-3-yl]aniline
PubChem CID10013665
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[(3S)-1-propylpiperidin-3-yl]aniline
SMILESCCCN1CCC[C@@H](c2cccc(N)c2)C1
InChIInChI=1S/C14H22N2/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/t13-/m1/s1
InChIKeyJQISQMHONBYOCE-CYBMUJFWSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.86
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-[(3S)-1-propylpiperidin-3-yl]aniline?
The IUPAC name of 3-[(3S)-1-propylpiperidin-3-yl]aniline (CID 10013665) is 3-[(3S)-1-propylpiperidin-3-yl]aniline.
What is the SMILES notation for 3-[(3S)-1-propylpiperidin-3-yl]aniline?
The canonical SMILES for 3-[(3S)-1-propylpiperidin-3-yl]aniline is CCCN1CCC[C@@H](c2cccc(N)c2)C1.
What is the InChIKey of 3-[(3S)-1-propylpiperidin-3-yl]aniline?
The InChIKey is JQISQMHONBYOCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2/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/t13-/m1/s1.
What are the key properties of 3-[(3S)-1-propylpiperidin-3-yl]aniline?
3-[(3S)-1-propylpiperidin-3-yl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-propylpiperidin-3-yl]aniline is sourced from PubChem (CID 10013665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).