2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one

C15H21ClN2O2 — CID 43324773

IUPAC2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)cc1CN)C(=O)N1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c1-11(15(19)18-7-3-2-4-8-18)20-14-6-5-13(16)9-12(14)10-17/h5-6,9,11H,2-4,7-8,10,17H2,1H3
InChIKeyJQIGKQKGFUVVAE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.58
Rot. Bonds4

About 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one

2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 43324773) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID43324773
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)cc1CN)C(=O)N1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c1-11(15(19)18-7-3-2-4-8-18)20-14-6-5-13(16)9-12(14)10-17/h5-6,9,11H,2-4,7-8,10,17H2,1H3
InChIKeyJQIGKQKGFUVVAE-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 63322604
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
(2R)-2-(4-chloro-2-methylphenoxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 31868158
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
2-[4-(aminomethyl)-2-methoxyphenoxy]-1-piperidin-1-ylpropan-1-one
CID 43115873
2-[4-(aminomethyl)-2-bromophenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 55147322
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-[4-(2-aminoethyl)-2-bromophenoxy]-1-piperidin-1-ylpropan-1-one
CID 63052674
1-(1,4-diazepan-1-yl)-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119414831
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78820444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one (CID 43324773) is 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one is CC(Oc1ccc(Cl)cc1CN)C(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is JQIGKQKGFUVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(15(19)18-7-3-2-4-8-18)20-14-6-5-13(16)9-12(14)10-17/h5-6,9,11H,2-4,7-8,10,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one?
2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43324773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).