3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol

C12H17ClN2O — CID 79256288

IUPAC3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1cc(Cl)ccn1)CC1CC(O)C1
InChIInChI=1S/C12H17ClN2O/c1-15(7-9-4-12(16)5-9)8-11-6-10(13)2-3-14-11/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyVYPQAMHDJVDBTN-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.94
Rot. Bonds4

About 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol

3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol (PubChem CID 79256288) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
PubChem CID79256288
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1cc(Cl)ccn1)CC1CC(O)C1
InChIInChI=1S/C12H17ClN2O/c1-15(7-9-4-12(16)5-9)8-11-6-10(13)2-3-14-11/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyVYPQAMHDJVDBTN-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol (CID 79256288) is 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol is CN(Cc1cc(Cl)ccn1)CC1CC(O)C1.
What is the InChIKey of 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is VYPQAMHDJVDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(7-9-4-12(16)5-9)8-11-6-10(13)2-3-14-11/h2-3,6,9,12,16H,4-5,7-8H2,1H3.
What are the key properties of 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 79256288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).