1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol

C11H16ClN3O — CID 107055177

IUPAC1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol
SMILESNCc1ccnc(N2CCCC(O)C2)c1Cl
InChIInChI=1S/C11H16ClN3O/c12-10-8(6-13)3-4-14-11(10)15-5-1-2-9(16)7-15/h3-4,9,16H,1-2,5-7,13H2
InChIKeyXODFSAJSPFNJBQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.15
Rot. Bonds2

About 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol

1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol (PubChem CID 107055177) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol
PubChem CID107055177
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol
SMILESNCc1ccnc(N2CCCC(O)C2)c1Cl
InChIInChI=1S/C11H16ClN3O/c12-10-8(6-13)3-4-14-11(10)15-5-1-2-9(16)7-15/h3-4,9,16H,1-2,5-7,13H2
InChIKeyXODFSAJSPFNJBQ-UHFFFAOYSA-N
XLogP1.15
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol (CID 107055177) is 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol is NCc1ccnc(N2CCCC(O)C2)c1Cl.
What is the InChIKey of 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol?
The InChIKey is XODFSAJSPFNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-8(6-13)3-4-14-11(10)15-5-1-2-9(16)7-15/h3-4,9,16H,1-2,5-7,13H2.
What are the key properties of 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol?
1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol has a molecular weight of 241.72 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 107055177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).