N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline

C15H24N2 — CID 83911736

IUPACN,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
SMILESCC(c1ccc(N(C)C)cc1)C1CCCNC1
InChIInChI=1S/C15H24N2/c1-12(14-5-4-10-16-11-14)13-6-8-15(9-7-13)17(2)3/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyFTUMIQPOHUUPFB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.86
Rot. Bonds3

About N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline

N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline (PubChem CID 83911736) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
PubChem CID83911736
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
SMILESCC(c1ccc(N(C)C)cc1)C1CCCNC1
InChIInChI=1S/C15H24N2/c1-12(14-5-4-10-16-11-14)13-6-8-15(9-7-13)17(2)3/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyFTUMIQPOHUUPFB-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(1-piperidin-3-ylethyl)phenol
CID 83908771
4-(1-piperidin-3-ylethyl)benzene-1,2-diol
CID 83910552
4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 19871677
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
CID 166747896
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
CID 116906547
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
3-(1-piperidin-3-ylethyl)benzaldehyde
CID 115030279
4-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023128

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline (CID 83911736) is N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline is CC(c1ccc(N(C)C)cc1)C1CCCNC1.
What is the InChIKey of N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline?
The InChIKey is FTUMIQPOHUUPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(14-5-4-10-16-11-14)13-6-8-15(9-7-13)17(2)3/h6-9,12,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline?
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline has a molecular weight of 232.37 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 N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline is sourced from PubChem (CID 83911736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).