4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

C16H27N3 — CID 63236717

IUPAC4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCC(N)c1ccc(N(C)CC2CCN(C)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13(17)15-4-6-16(7-5-15)19(3)12-14-8-10-18(2)11-9-14/h4-7,13-14H,8-12,17H2,1-3H3
InChIKeyMZAUMVAKSRQFMJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.48
Rot. Bonds4

About 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 63236717) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID63236717
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCC(N)c1ccc(N(C)CC2CCN(C)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13(17)15-4-6-16(7-5-15)19(3)12-14-8-10-18(2)11-9-14/h4-7,13-14H,8-12,17H2,1-3H3
InChIKeyMZAUMVAKSRQFMJ-UHFFFAOYSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236805
4-[(1S)-1-aminoethyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63711877
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836
4-(2-aminopropyl)-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63793652
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
1-[5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-pyridinyl]ethanol
CID 83132165
3-[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]prop-2-enoic acid
CID 76988500
2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide
CID 79467123
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63236752

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 63236717) is 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is CC(N)c1ccc(N(C)CC2CCN(C)CC2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is MZAUMVAKSRQFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(17)15-4-6-16(7-5-15)19(3)12-14-8-10-18(2)11-9-14/h4-7,13-14H,8-12,17H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 63236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).