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

C16H25N3O — CID 95708715

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
SMILESCc1cccnc1CN1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C16H25N3O/c1-14-3-2-5-17-16(14)12-19-8-6-18(7-9-19)11-15-4-10-20-13-15/h2-3,5,15H,4,6-13H2,1H3/t15-/m0/s1
InChIKeyAJLQRGXNNDTRLE-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.54
Rot. Bonds4

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

1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine (PubChem CID 95708715) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
PubChem CID95708715
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
SMILESCc1cccnc1CN1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C16H25N3O/c1-14-3-2-5-17-16(14)12-19-8-6-18(7-9-19)11-15-4-10-20-13-15/h2-3,5,15H,4,6-13H2,1H3/t15-/m0/s1
InChIKeyAJLQRGXNNDTRLE-HNNXBMFYSA-N
XLogP1.54
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
CID 56900525
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
[3-hydroxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 154823229
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
CID 130684002

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine (CID 95708715) is 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine is Cc1cccnc1CN1CCN(C[C@@H]2CCOC2)CC1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
The InChIKey is AJLQRGXNNDTRLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14-3-2-5-17-16(14)12-19-8-6-18(7-9-19)11-15-4-10-20-13-15/h2-3,5,15H,4,6-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine?
1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine has a molecular weight of 275.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine is sourced from PubChem (CID 95708715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).