[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol

C22H30N4O3 — CID 139379249

IUPAC[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol
SMILESCOc1ccc(CN2CCN(C3(C(O)c4ccccn4)CCOCC3)CC2)cn1
InChIInChI=1S/C22H30N4O3/c1-28-20-6-5-18(16-24-20)17-25-10-12-26(13-11-25)22(7-14-29-15-8-22)21(27)19-4-2-3-9-23-19/h2-6,9,16,21,27H,7-8,10-15,17H2,1H3
InChIKeyVNJUWKYLFNFALN-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.89
Rot. Bonds6

About [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol

[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol (PubChem CID 139379249) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol
PubChem CID139379249
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol
SMILESCOc1ccc(CN2CCN(C3(C(O)c4ccccn4)CCOCC3)CC2)cn1
InChIInChI=1S/C22H30N4O3/c1-28-20-6-5-18(16-24-20)17-25-10-12-26(13-11-25)22(7-14-29-15-8-22)21(27)19-4-2-3-9-23-19/h2-6,9,16,21,27H,7-8,10-15,17H2,1H3
InChIKeyVNJUWKYLFNFALN-UHFFFAOYSA-N
XLogP1.89
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol (CID 139379249) is [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol is COc1ccc(CN2CCN(C3(C(O)c4ccccn4)CCOCC3)CC2)cn1.
What is the InChIKey of [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol?
The InChIKey is VNJUWKYLFNFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-28-20-6-5-18(16-24-20)17-25-10-12-26(13-11-25)22(7-14-29-15-8-22)21(27)19-4-2-3-9-23-19/h2-6,9,16,21,27H,7-8,10-15,17H2,1H3.
What are the key properties of [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol?
[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol has a molecular weight of 398.51 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 139379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).