2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine

C16H26ClN3 — CID 114861174

IUPAC2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
SMILESCN(C)CC1CCN(c2ccc(Cl)cc2CCN)CC1
InChIInChI=1S/C16H26ClN3/c1-19(2)12-13-6-9-20(10-7-13)16-4-3-15(17)11-14(16)5-8-18/h3-4,11,13H,5-10,12,18H2,1-2H3
InChIKeyXKQQGXXBHNVGFJ-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.62
Rot. Bonds5

About 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine

2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine (PubChem CID 114861174) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
PubChem CID114861174
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
SMILESCN(C)CC1CCN(c2ccc(Cl)cc2CCN)CC1
InChIInChI=1S/C16H26ClN3/c1-19(2)12-13-6-9-20(10-7-13)16-4-3-15(17)11-14(16)5-8-18/h3-4,11,13H,5-10,12,18H2,1-2H3
InChIKeyXKQQGXXBHNVGFJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114862190
2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 114860829
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
CID 63815975
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
1-[3-chloro-4-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-N-methylethanamine
CID 62910990
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline
CID 103590157
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine (CID 114861174) is 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine is CN(C)CC1CCN(c2ccc(Cl)cc2CCN)CC1.
What is the InChIKey of 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
The InChIKey is XKQQGXXBHNVGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-19(2)12-13-6-9-20(10-7-13)16-4-3-15(17)11-14(16)5-8-18/h3-4,11,13H,5-10,12,18H2,1-2H3.
What are the key properties of 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine has a molecular weight of 295.86 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 114861174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).