1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine

C16H25N3O — CID 171280802

IUPAC1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
SMILESCc1cccc([C@H](C2CCOCC2)N2CCNCC2)n1
InChIInChI=1S/C16H25N3O/c1-13-3-2-4-15(18-13)16(14-5-11-20-12-6-14)19-9-7-17-8-10-19/h2-4,14,16-17H,5-12H2,1H3/t16-/m0/s1
InChIKeySRDACQPBBLMYHJ-INIZCTEOSA-N
MW275.40 g/mol
LogP1.76
Rot. Bonds3

About 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine

1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine (PubChem CID 171280802) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
PubChem CID171280802
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
SMILESCc1cccc([C@H](C2CCOCC2)N2CCNCC2)n1
InChIInChI=1S/C16H25N3O/c1-13-3-2-4-15(18-13)16(14-5-11-20-12-6-14)19-9-7-17-8-10-19/h2-4,14,16-17H,5-12H2,1H3/t16-/m0/s1
InChIKeySRDACQPBBLMYHJ-INIZCTEOSA-N
XLogP1.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
CID 171280796
1-[(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
CID 171276278
1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171281433
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276415
1-[(R)-oxan-4-yl-(2,3,4,5,6-pentamethylphenyl)methyl]piperazine;dihydrochloride
CID 171294989
1-[(R)-(3,5-dimethylphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288161
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]benzene-1,2-diol;dihydrochloride
CID 171287326
1-[(S)-(2,3-difluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280426
1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171292440
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(R)-(2-iodophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171293298

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine (CID 171280802) is 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine is Cc1cccc([C@H](C2CCOCC2)N2CCNCC2)n1.
What is the InChIKey of 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine?
The InChIKey is SRDACQPBBLMYHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-3-2-4-15(18-13)16(14-5-11-20-12-6-14)19-9-7-17-8-10-19/h2-4,14,16-17H,5-12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine?
1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine has a molecular weight of 275.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine is sourced from PubChem (CID 171280802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).