[1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol

C13H19F2N3O — CID 136562407

IUPAC[1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2cc(C(F)F)ncn2)C1
InChIInChI=1S/C13H19F2N3O/c1-2-13(8-19)4-3-5-18(7-13)11-6-10(12(14)15)16-9-17-11/h6,9,12,19H,2-5,7-8H2,1H3
InChIKeyRCVFPHZQDNHSDV-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.40
Rot. Bonds4

About [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol

[1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol (PubChem CID 136562407) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol
PubChem CID136562407
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name[1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2cc(C(F)F)ncn2)C1
InChIInChI=1S/C13H19F2N3O/c1-2-13(8-19)4-3-5-18(7-13)11-6-10(12(14)15)16-9-17-11/h6,9,12,19H,2-5,7-8H2,1H3
InChIKeyRCVFPHZQDNHSDV-UHFFFAOYSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol?
The IUPAC name of [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol (CID 136562407) is [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol is CCC1(CO)CCCN(c2cc(C(F)F)ncn2)C1.
What is the InChIKey of [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol?
The InChIKey is RCVFPHZQDNHSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-2-13(8-19)4-3-5-18(7-13)11-6-10(12(14)15)16-9-17-11/h6,9,12,19H,2-5,7-8H2,1H3.
What are the key properties of [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol?
[1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol has a molecular weight of 271.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 136562407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).