5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine

C14H22N4O — CID 61312836

IUPAC5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(CC3CCOC3)CC2)cn1
InChIInChI=1S/C14H22N4O/c15-14-2-1-13(9-16-14)18-6-4-17(5-7-18)10-12-3-8-19-11-12/h1-2,9,12H,3-8,10-11H2,(H2,15,16)
InChIKeySCQAHGWMNHIVHE-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.82
Rot. Bonds3

About 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine

5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 61312836) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
PubChem CID61312836
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(CC3CCOC3)CC2)cn1
InChIInChI=1S/C14H22N4O/c15-14-2-1-13(9-16-14)18-6-4-17(5-7-18)10-12-3-8-19-11-12/h1-2,9,12H,3-8,10-11H2,(H2,15,16)
InChIKeySCQAHGWMNHIVHE-UHFFFAOYSA-N
XLogP0.82
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283
2-chloro-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]benzonitrile
CID 133335940
5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413
2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile
CID 43461956
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 62698240
acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 145054361
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine (CID 61312836) is 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine is Nc1ccc(N2CCN(CC3CCOC3)CC2)cn1.
What is the InChIKey of 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is SCQAHGWMNHIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-14-2-1-13(9-16-14)18-6-4-17(5-7-18)10-12-3-8-19-11-12/h1-2,9,12H,3-8,10-11H2,(H2,15,16).
What are the key properties of 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine?
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 61312836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).