N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

C16H26ClN3 — CID 114850104

IUPACN-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(Cl)cc2CNC)CC1
InChIInChI=1S/C16H26ClN3/c1-4-20-9-7-15(8-10-20)19(3)16-6-5-14(17)11-13(16)12-18-2/h5-6,11,15,18H,4,7-10,12H2,1-3H3
InChIKeyVUKMYFHIFCAHQK-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.98
Rot. Bonds5

About N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 114850104) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID114850104
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(Cl)cc2CNC)CC1
InChIInChI=1S/C16H26ClN3/c1-4-20-9-7-15(8-10-20)19(3)16-6-5-14(17)11-13(16)12-18-2/h5-6,11,15,18H,4,7-10,12H2,1-3H3
InChIKeyVUKMYFHIFCAHQK-UHFFFAOYSA-N
XLogP2.98
TPSA18.51 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 ≤ 52.98
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-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469
4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
CID 114849226
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
CID 55004619
4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741071
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 114850104) is N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2ccc(Cl)cc2CNC)CC1.
What is the InChIKey of N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is VUKMYFHIFCAHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-20-9-7-15(8-10-20)19(3)16-6-5-14(17)11-13(16)12-18-2/h5-6,11,15,18H,4,7-10,12H2,1-3H3.
What are the key properties of N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 114850104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).