[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol

C16H23N3O — CID 97131261

IUPAC[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C16H23N3O/c1-2-6-16(11-20)7-3-8-19(10-16)15-9-14(13-4-5-13)17-12-18-15/h2,9,12-13,20H,1,3-8,10-11H2/t16-/m0/s1
InChIKeyKSDZIKPMVFCEED-INIZCTEOSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds5

About [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol

[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97131261) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97131261
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C16H23N3O/c1-2-6-16(11-20)7-3-8-19(10-16)15-9-14(13-4-5-13)17-12-18-15/h2,9,12-13,20H,1,3-8,10-11H2/t16-/m0/s1
InChIKeyKSDZIKPMVFCEED-INIZCTEOSA-N
XLogP2.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 97131261) is [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@]1(CO)CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is KSDZIKPMVFCEED-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-6-16(11-20)7-3-8-19(10-16)15-9-14(13-4-5-13)17-12-18-15/h2,9,12-13,20H,1,3-8,10-11H2/t16-/m0/s1.
What are the key properties of [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97131261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).