[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol

C17H23N3O — CID 61256254

IUPAC[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol
SMILESCN(C)C1CCN(c2cc(CO)c3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-19(2)14-7-9-20(10-8-14)17-11-13(12-21)15-5-3-4-6-16(15)18-17/h3-6,11,14,21H,7-10,12H2,1-2H3
InChIKeyDJSGONPGICTYLV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.26
Rot. Bonds3

About [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol

[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol (PubChem CID 61256254) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol
PubChem CID61256254
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol
SMILESCN(C)C1CCN(c2cc(CO)c3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-19(2)14-7-9-20(10-8-14)17-11-13(12-21)15-5-3-4-6-16(15)18-17/h3-6,11,14,21H,7-10,12H2,1-2H3
InChIKeyDJSGONPGICTYLV-UHFFFAOYSA-N
XLogP2.26
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol?
The IUPAC name of [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol (CID 61256254) is [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol?
The canonical SMILES for [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol is CN(C)C1CCN(c2cc(CO)c3ccccc3n2)CC1.
What is the InChIKey of [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol?
The InChIKey is DJSGONPGICTYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)14-7-9-20(10-8-14)17-11-13(12-21)15-5-3-4-6-16(15)18-17/h3-6,11,14,21H,7-10,12H2,1-2H3.
What are the key properties of [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol?
[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol is sourced from PubChem (CID 61256254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).