4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol

C15H23ClN2O — CID 62978113

IUPAC4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
SMILESCC(c1ccccc1Cl)N(C)CC1(O)CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(19)7-9-17-10-8-15/h3-6,12,17,19H,7-11H2,1-2H3
InChIKeyUUGXUHQZCDSIMY-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.45
Rot. Bonds4

About 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol

4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol (PubChem CID 62978113) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
PubChem CID62978113
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
SMILESCC(c1ccccc1Cl)N(C)CC1(O)CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(19)7-9-17-10-8-15/h3-6,12,17,19H,7-11H2,1-2H3
InChIKeyUUGXUHQZCDSIMY-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol (CID 62978113) is 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol is CC(c1ccccc1Cl)N(C)CC1(O)CCNCC1.
What is the InChIKey of 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol?
The InChIKey is UUGXUHQZCDSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(19)7-9-17-10-8-15/h3-6,12,17,19H,7-11H2,1-2H3.
What are the key properties of 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol?
4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol has a molecular weight of 282.81 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol is sourced from PubChem (CID 62978113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).