[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol

C13H19Cl2N3O — CID 164630346

IUPAC[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(CCNc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H19Cl2N3O/c14-11-6-12(15)13(17-7-11)16-3-5-18-4-1-2-10(8-18)9-19/h6-7,10,19H,1-5,8-9H2,(H,16,17)/t10-/m0/s1
InChIKeyAZTVOKYWRSHMDX-JTQLQIEISA-N
MW304.22 g/mol
LogP2.50
Rot. Bonds5

About [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol (PubChem CID 164630346) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol
PubChem CID164630346
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(CCNc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H19Cl2N3O/c14-11-6-12(15)13(17-7-11)16-3-5-18-4-1-2-10(8-18)9-19/h6-7,10,19H,1-5,8-9H2,(H,16,17)/t10-/m0/s1
InChIKeyAZTVOKYWRSHMDX-JTQLQIEISA-N
XLogP2.50
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol (CID 164630346) is [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(CCNc2ncc(Cl)cc2Cl)C1.
What is the InChIKey of [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is AZTVOKYWRSHMDX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c14-11-6-12(15)13(17-7-11)16-3-5-18-4-1-2-10(8-18)9-19/h6-7,10,19H,1-5,8-9H2,(H,16,17)/t10-/m0/s1.
What are the key properties of [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 304.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 164630346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).