[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C14H21N3O2 — CID 82701353

IUPAC[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(OCCN)CC2)cn1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-12(10-16-11)14(18)17-7-4-13(5-8-17)19-9-6-15/h2-3,10,13H,4-9,15H2,1H3
InChIKeyAVPMMWDMWZYUON-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.97
Rot. Bonds4

About [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 82701353) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID82701353
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(OCCN)CC2)cn1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-12(10-16-11)14(18)17-7-4-13(5-8-17)19-9-6-15/h2-3,10,13H,4-9,15H2,1H3
InChIKeyAVPMMWDMWZYUON-UHFFFAOYSA-N
XLogP0.97
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
(6-chloro-3-pyridinyl)-(4-propoxyazepan-1-yl)methanone
CID 71878080
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 119663814
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
6-[4-(2-aminoethoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 82688178
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 82692044
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 119662578
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 82701353) is [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC(OCCN)CC2)cn1.
What is the InChIKey of [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is AVPMMWDMWZYUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-2-3-12(10-16-11)14(18)17-7-4-13(5-8-17)19-9-6-15/h2-3,10,13H,4-9,15H2,1H3.
What are the key properties of [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 82701353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).