4-[(2-ethylpiperidin-1-yl)methyl]aniline

C14H22N2 — CID 3158971

IUPAC4-[(2-ethylpiperidin-1-yl)methyl]aniline
SMILESCCC1CCCCN1Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3
InChIKeyMVPDGGMRKWOGHJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.03
Rot. Bonds3

About 4-[(2-ethylpiperidin-1-yl)methyl]aniline

4-[(2-ethylpiperidin-1-yl)methyl]aniline (PubChem CID 3158971) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(2-ethylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2-ethylpiperidin-1-yl)methyl]aniline
PubChem CID3158971
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(2-ethylpiperidin-1-yl)methyl]aniline
SMILESCCC1CCCCN1Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3
InChIKeyMVPDGGMRKWOGHJ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]aniline (CID 3158971) is 4-[(2-ethylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(2-ethylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-[(2-ethylpiperidin-1-yl)methyl]aniline is CCC1CCCCN1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(2-ethylpiperidin-1-yl)methyl]aniline?
The InChIKey is MVPDGGMRKWOGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3.
What are the key properties of 4-[(2-ethylpiperidin-1-yl)methyl]aniline?
4-[(2-ethylpiperidin-1-yl)methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 3158971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).