ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol

C17H30N4O — CID 171069995

IUPACethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol
SMILESCC.OC1CCN(CC2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C15H24N4O.C2H6/c20-14-4-8-18(9-5-14)12-13-2-10-19(11-3-13)15-16-6-1-7-17-15;1-2/h1,6-7,13-14,20H,2-5,8-12H2;1-2H3
InChIKeyVOVFGEHEERVNLT-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.18
Rot. Bonds3

About ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol

ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol (PubChem CID 171069995) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol
PubChem CID171069995
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Nameethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol
SMILESCC.OC1CCN(CC2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C15H24N4O.C2H6/c20-14-4-8-18(9-5-14)12-13-2-10-19(11-3-13)15-16-6-1-7-17-15;1-2/h1,6-7,13-14,20H,2-5,8-12H2;1-2H3
InChIKeyVOVFGEHEERVNLT-UHFFFAOYSA-N
XLogP2.18
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol?
The IUPAC name of ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol (CID 171069995) is ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol is CC.OC1CCN(CC2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol?
The InChIKey is VOVFGEHEERVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.C2H6/c20-14-4-8-18(9-5-14)12-13-2-10-19(11-3-13)15-16-6-1-7-17-15;1-2/h1,6-7,13-14,20H,2-5,8-12H2;1-2H3.
What are the key properties of ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol?
ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol has a molecular weight of 306.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 171069995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).