[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C14H21N3O3 — CID 82696757

IUPAC[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNCc1cc(C(=O)N2CCC(OCCO)CC2)ccn1
InChIInChI=1S/C14H21N3O3/c15-10-12-9-11(1-4-16-12)14(19)17-5-2-13(3-6-17)20-8-7-18/h1,4,9,13,18H,2-3,5-8,10,15H2
InChIKeyRSOBQESZRIOZTD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.15
Rot. Bonds5

About [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82696757) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82696757
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNCc1cc(C(=O)N2CCC(OCCO)CC2)ccn1
InChIInChI=1S/C14H21N3O3/c15-10-12-9-11(1-4-16-12)14(19)17-5-2-13(3-6-17)20-8-7-18/h1,4,9,13,18H,2-3,5-8,10,15H2
InChIKeyRSOBQESZRIOZTD-UHFFFAOYSA-N
XLogP0.15
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107033605
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 82691397
[2-(aminomethyl)-4-pyridinyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220475
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82696757) is [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is NCc1cc(C(=O)N2CCC(OCCO)CC2)ccn1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is RSOBQESZRIOZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-10-12-9-11(1-4-16-12)14(19)17-5-2-13(3-6-17)20-8-7-18/h1,4,9,13,18H,2-3,5-8,10,15H2.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82696757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).