2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol

C12H19N3O2 — CID 82695712

IUPAC2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
SMILESNc1ccnc(N2CCC(OCCO)CC2)c1
InChIInChI=1S/C12H19N3O2/c13-10-1-4-14-12(9-10)15-5-2-11(3-6-15)17-8-7-16/h1,4,9,11,16H,2-3,5-8H2,(H2,13,14)
InChIKeyYGEBDYODXXOUTR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.64
Rot. Bonds4

About 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol

2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol (PubChem CID 82695712) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
PubChem CID82695712
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
SMILESNc1ccnc(N2CCC(OCCO)CC2)c1
InChIInChI=1S/C12H19N3O2/c13-10-1-4-14-12(9-10)15-5-2-11(3-6-15)17-8-7-16/h1,4,9,11,16H,2-3,5-8H2,(H2,13,14)
InChIKeyYGEBDYODXXOUTR-UHFFFAOYSA-N
XLogP0.64
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carbothioamide
CID 82696518
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701061
2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052
2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82011418
2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
CID 82691067
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol (CID 82695712) is 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol is Nc1ccnc(N2CCC(OCCO)CC2)c1.
What is the InChIKey of 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol?
The InChIKey is YGEBDYODXXOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-10-1-4-14-12(9-10)15-5-2-11(3-6-15)17-8-7-16/h1,4,9,11,16H,2-3,5-8H2,(H2,13,14).
What are the key properties of 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol?
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol has a molecular weight of 237.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82695712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).