N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline

C17H29N3 — CID 43308440

IUPACN,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
SMILESCC(NCc1ccc(N(C)C)cc1)C1CCCN(C)C1
InChIInChI=1S/C17H29N3/c1-14(16-6-5-11-20(4)13-16)18-12-15-7-9-17(10-8-15)19(2)3/h7-10,14,16,18H,5-6,11-13H2,1-4H3
InChIKeyJEDGELHLOVSMDD-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.57
Rot. Bonds5

About N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline

N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline (PubChem CID 43308440) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
PubChem CID43308440
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
SMILESCC(NCc1ccc(N(C)C)cc1)C1CCCN(C)C1
InChIInChI=1S/C17H29N3/c1-14(16-6-5-11-20(4)13-16)18-12-15-7-9-17(10-8-15)19(2)3/h7-10,14,16,18H,5-6,11-13H2,1-4H3
InChIKeyJEDGELHLOVSMDD-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline (CID 43308440) is N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline is CC(NCc1ccc(N(C)C)cc1)C1CCCN(C)C1.
What is the InChIKey of N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline?
The InChIKey is JEDGELHLOVSMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(16-6-5-11-20(4)13-16)18-12-15-7-9-17(10-8-15)19(2)3/h7-10,14,16,18H,5-6,11-13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline?
N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline is sourced from PubChem (CID 43308440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).