3-chloro-4-piperidin-1-ylaniline

C11H15ClN2 — CID 736350

IUPAC3-chloro-4-piperidin-1-ylaniline
SMILESNc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyNIGYLYWAEONQRX-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.91
Rot. Bonds1

About 3-chloro-4-piperidin-1-ylaniline

3-chloro-4-piperidin-1-ylaniline (PubChem CID 736350) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-chloro-4-piperidin-1-ylaniline.

Molecular Properties

Compound Name3-chloro-4-piperidin-1-ylaniline
PubChem CID736350
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-chloro-4-piperidin-1-ylaniline
SMILESNc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyNIGYLYWAEONQRX-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-piperidin-1-ylaniline?
The IUPAC name of 3-chloro-4-piperidin-1-ylaniline (CID 736350) is 3-chloro-4-piperidin-1-ylaniline.
What is the SMILES notation for 3-chloro-4-piperidin-1-ylaniline?
The canonical SMILES for 3-chloro-4-piperidin-1-ylaniline is Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-piperidin-1-ylaniline?
The InChIKey is NIGYLYWAEONQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2.
What are the key properties of 3-chloro-4-piperidin-1-ylaniline?
3-chloro-4-piperidin-1-ylaniline has a molecular weight of 210.71 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-piperidin-1-ylaniline is sourced from PubChem (CID 736350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).