1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine

C16H25N3O — CID 99932126

IUPAC1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
SMILESCc1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc(C)n1
InChIInChI=1S/C16H25N3O/c1-13-9-16(10-14(2)17-13)19-6-4-18(5-7-19)11-15-3-8-20-12-15/h9-10,15H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyZBXKHXVQOIUOEB-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.86
Rot. Bonds3

About 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine

1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine (PubChem CID 99932126) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
PubChem CID99932126
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
SMILESCc1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc(C)n1
InChIInChI=1S/C16H25N3O/c1-13-9-16(10-14(2)17-13)19-6-4-18(5-7-19)11-15-3-8-20-12-15/h9-10,15H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyZBXKHXVQOIUOEB-HNNXBMFYSA-N
XLogP1.86
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
CID 95715719
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide
CID 126426190
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 61312836
2-chloro-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]benzonitrile
CID 133335940
2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133335896
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 154757689
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 102561547

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine (CID 99932126) is 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine is Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The InChIKey is ZBXKHXVQOIUOEB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-9-16(10-14(2)17-13)19-6-4-18(5-7-19)11-15-3-8-20-12-15/h9-10,15H,3-8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine has a molecular weight of 275.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine is sourced from PubChem (CID 99932126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).