N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine

C16H26ClN3 — CID 114861329

IUPACN-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(Cl)cc2CCN)CC1
InChIInChI=1S/C16H26ClN3/c1-3-20-10-7-15(8-11-20)19(2)16-5-4-14(17)12-13(16)6-9-18/h4-5,12,15H,3,6-11,18H2,1-2H3
InChIKeyKGFVMUMTYOARKD-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine

N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 114861329) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID114861329
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(Cl)cc2CCN)CC1
InChIInChI=1S/C16H26ClN3/c1-3-20-10-7-15(8-11-20)19(2)16-5-4-14(17)12-13(16)6-9-18/h4-5,12,15H,3,6-11,18H2,1-2H3
InChIKeyKGFVMUMTYOARKD-UHFFFAOYSA-N
XLogP2.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
N-[2-(2-aminoethyl)-4-chlorophenyl]-N,1-dimethylpiperidin-3-amine
CID 114860797
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
1-N-(1-ethylpiperidin-4-yl)-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66093142
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63785374
2-(2-aminoethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 114861930
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 114861329) is N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2ccc(Cl)cc2CCN)CC1.
What is the InChIKey of N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is KGFVMUMTYOARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-20-10-7-15(8-11-20)19(2)16-5-4-14(17)12-13(16)6-9-18/h4-5,12,15H,3,6-11,18H2,1-2H3.
What are the key properties of N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 114861329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).