1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol

C16H27N5O — CID 72924712

IUPAC1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nccnc1N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C16H27N5O/c1-19(2)15-16(18-8-7-17-15)21-9-3-13(4-10-21)20-11-5-14(22)6-12-20/h7-8,13-14,22H,3-6,9-12H2,1-2H3
InChIKeyIPQWKTUAPBQQEI-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.97
Rot. Bonds3

About 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol

1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol (PubChem CID 72924712) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol
PubChem CID72924712
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol
SMILESCN(C)c1nccnc1N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C16H27N5O/c1-19(2)15-16(18-8-7-17-15)21-9-3-13(4-10-21)20-11-5-14(22)6-12-20/h7-8,13-14,22H,3-6,9-12H2,1-2H3
InChIKeyIPQWKTUAPBQQEI-UHFFFAOYSA-N
XLogP0.97
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol (CID 72924712) is 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol is CN(C)c1nccnc1N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol?
The InChIKey is IPQWKTUAPBQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19(2)15-16(18-8-7-17-15)21-9-3-13(4-10-21)20-11-5-14(22)6-12-20/h7-8,13-14,22H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol?
1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol has a molecular weight of 305.43 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72924712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).