[5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol

C13H20ClN3O — CID 114920435

IUPAC[5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol
SMILESCN(C)C1CCCN(c2cc(CO)c(Cl)cn2)C1
InChIInChI=1S/C13H20ClN3O/c1-16(2)11-4-3-5-17(8-11)13-6-10(9-18)12(14)7-15-13/h6-7,11,18H,3-5,8-9H2,1-2H3
InChIKeyLOZQSIVCXMYJAO-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.76
Rot. Bonds3

About [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol

[5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol (PubChem CID 114920435) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol
PubChem CID114920435
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol
SMILESCN(C)C1CCCN(c2cc(CO)c(Cl)cn2)C1
InChIInChI=1S/C13H20ClN3O/c1-16(2)11-4-3-5-17(8-11)13-6-10(9-18)12(14)7-15-13/h6-7,11,18H,3-5,8-9H2,1-2H3
InChIKeyLOZQSIVCXMYJAO-UHFFFAOYSA-N
XLogP1.76
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol (CID 114920435) is [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol is CN(C)C1CCCN(c2cc(CO)c(Cl)cn2)C1.
What is the InChIKey of [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol?
The InChIKey is LOZQSIVCXMYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-16(2)11-4-3-5-17(8-11)13-6-10(9-18)12(14)7-15-13/h6-7,11,18H,3-5,8-9H2,1-2H3.
What are the key properties of [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol?
[5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol has a molecular weight of 269.78 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 114920435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).