[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol

C13H17Cl2NO — CID 18933356

IUPAC[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO/c14-12-4-3-10(6-13(12)15)7-16-5-1-2-11(8-16)9-17/h3-4,6,11,17H,1-2,5,7-9H2
InChIKeyDSMFHKZBPHLJGD-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.20
Rot. Bonds3

About [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol

[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 18933356) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID18933356
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO/c14-12-4-3-10(6-13(12)15)7-16-5-1-2-11(8-16)9-17/h3-4,6,11,17H,1-2,5,7-9H2
InChIKeyDSMFHKZBPHLJGD-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol (CID 18933356) is [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is DSMFHKZBPHLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-12-4-3-10(6-13(12)15)7-16-5-1-2-11(8-16)9-17/h3-4,6,11,17H,1-2,5,7-9H2.
What are the key properties of [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol?
[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 274.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 18933356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).