N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine

C17H27N3O — CID 131944543

IUPACN-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
SMILESc1cncc(C(CNC2CCOCC2)N2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-9-20(10-3-1)17(15-5-4-8-18-13-15)14-19-16-6-11-21-12-7-16/h4-5,8,13,16-17,19H,1-3,6-7,9-12,14H2
InChIKeyLTSQEEPQAHDGMS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.38
Rot. Bonds5

About N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine

N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine (PubChem CID 131944543) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
PubChem CID131944543
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
SMILESc1cncc(C(CNC2CCOCC2)N2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-9-20(10-3-1)17(15-5-4-8-18-13-15)14-19-16-6-11-21-12-7-16/h4-5,8,13,16-17,19H,1-3,6-7,9-12,14H2
InChIKeyLTSQEEPQAHDGMS-UHFFFAOYSA-N
XLogP2.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 56875402
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine?
The IUPAC name of N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine (CID 131944543) is N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine.
What is the SMILES notation for N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine?
The canonical SMILES for N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine is c1cncc(C(CNC2CCOCC2)N2CCCCC2)c1.
What is the InChIKey of N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine?
The InChIKey is LTSQEEPQAHDGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-9-20(10-3-1)17(15-5-4-8-18-13-15)14-19-16-6-11-21-12-7-16/h4-5,8,13,16-17,19H,1-3,6-7,9-12,14H2.
What are the key properties of N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine?
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine has a molecular weight of 289.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine is sourced from PubChem (CID 131944543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).