(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride

C12H18Cl2N2O — CID 51058490

IUPAC(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride
SMILESCN1CCC(C(O)c2cccc(Cl)n2)CC1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9,12,16H,5-8H2,1H3;1H
InChIKeyMNRDRMPFGYPBEX-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.53
Rot. Bonds2

About (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride

(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride (PubChem CID 51058490) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride
PubChem CID51058490
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride
SMILESCN1CCC(C(O)c2cccc(Cl)n2)CC1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9,12,16H,5-8H2,1H3;1H
InChIKeyMNRDRMPFGYPBEX-UHFFFAOYSA-N
XLogP2.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride?
The IUPAC name of (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride (CID 51058490) is (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride.
What is the SMILES notation for (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride?
The canonical SMILES for (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride is CN1CCC(C(O)c2cccc(Cl)n2)CC1.Cl.
What is the InChIKey of (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride?
The InChIKey is MNRDRMPFGYPBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9,12,16H,5-8H2,1H3;1H.
What are the key properties of (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride?
(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 51058490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).