[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride

C17H27ClN2O3 — CID 119520804

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(C(C)N)CC2)cc(OC)c1C.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-11-15(21-3)9-14(10-16(11)22-4)17(20)19-7-5-13(6-8-19)12(2)18;/h9-10,12-13H,5-8,18H2,1-4H3;1H
InChIKeyNDWXIKFYMYHHPA-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.63
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride (PubChem CID 119520804) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
PubChem CID119520804
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(C(C)N)CC2)cc(OC)c1C.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-11-15(21-3)9-14(10-16(11)22-4)17(20)19-7-5-13(6-8-19)12(2)18;/h9-10,12-13H,5-8,18H2,1-4H3;1H
InChIKeyNDWXIKFYMYHHPA-UHFFFAOYSA-N
XLogP2.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone;hydrochloride
CID 119516703
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119518451
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
[4-(1-aminoethyl)piperidin-1-yl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 119518016
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
(3,5-dimethoxy-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 46445696
[4-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 119518681
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119517185
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride (CID 119520804) is [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride is COc1cc(C(=O)N2CCC(C(C)N)CC2)cc(OC)c1C.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride?
The InChIKey is NDWXIKFYMYHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-11-15(21-3)9-14(10-16(11)22-4)17(20)19-7-5-13(6-8-19)12(2)18;/h9-10,12-13H,5-8,18H2,1-4H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119520804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).