[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone

C20H26N4O — CID 152513618

IUPAC[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CCCC(c3cccc(CN)c3)C2)ccn1
InChIInChI=1S/C20H26N4O/c1-23(2)19-12-17(8-9-22-19)20(25)24-10-4-7-18(14-24)16-6-3-5-15(11-16)13-21/h3,5-6,8-9,11-12,18H,4,7,10,13-14,21H2,1-2H3
InChIKeyYGAOYYCSTKOXSP-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.63
Rot. Bonds4

About [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone

[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone (PubChem CID 152513618) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
PubChem CID152513618
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CCCC(c3cccc(CN)c3)C2)ccn1
InChIInChI=1S/C20H26N4O/c1-23(2)19-12-17(8-9-22-19)20(25)24-10-4-7-18(14-24)16-6-3-5-15(11-16)13-21/h3,5-6,8-9,11-12,18H,4,7,10,13-14,21H2,1-2H3
InChIKeyYGAOYYCSTKOXSP-UHFFFAOYSA-N
XLogP2.63
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124970912
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 146361758

Frequently Asked Questions

What is the IUPAC name of [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The IUPAC name of [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone (CID 152513618) is [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The canonical SMILES for [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone is CN(C)c1cc(C(=O)N2CCCC(c3cccc(CN)c3)C2)ccn1.
What is the InChIKey of [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The InChIKey is YGAOYYCSTKOXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(2)19-12-17(8-9-22-19)20(25)24-10-4-7-18(14-24)16-6-3-5-15(11-16)13-21/h3,5-6,8-9,11-12,18H,4,7,10,13-14,21H2,1-2H3.
What are the key properties of [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone has a molecular weight of 338.46 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 [3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 152513618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).