[(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

C16H27N3O2 — CID 97143419

IUPAC[(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESC=CCn1cc(CN2CCC[C@@](CO)(CCOC)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-3-7-19-12-15(10-17-19)11-18-8-4-5-16(13-18,14-20)6-9-21-2/h3,10,12,20H,1,4-9,11,13-14H2,2H3/t16-/m1/s1
InChIKeyUFBITRDXQHQLAR-MRXNPFEDSA-N
MW293.41 g/mol
LogP1.68
Rot. Bonds8

About [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

[(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 97143419) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID97143419
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESC=CCn1cc(CN2CCC[C@@](CO)(CCOC)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-3-7-19-12-15(10-17-19)11-18-8-4-5-16(13-18,14-20)6-9-21-2/h3,10,12,20H,1,4-9,11,13-14H2,2H3/t16-/m1/s1
InChIKeyUFBITRDXQHQLAR-MRXNPFEDSA-N
XLogP1.68
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (CID 97143419) is [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is C=CCn1cc(CN2CCC[C@@](CO)(CCOC)C2)cn1.
What is the InChIKey of [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is UFBITRDXQHQLAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-7-19-12-15(10-17-19)11-18-8-4-5-16(13-18,14-20)6-9-21-2/h3,10,12,20H,1,4-9,11,13-14H2,2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
[(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methoxyethyl)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97143419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).