2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol

C14H21ClN2O — CID 113277018

IUPAC2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol
SMILESCC1CCCC(CN)N1Cc1c(O)cccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-4-2-5-11(8-16)17(10)9-12-13(15)6-3-7-14(12)18/h3,6-7,10-11,18H,2,4-5,8-9,16H2,1H3
InChIKeyFTRLOSHFDMYBSO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds3

About 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol

2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol (PubChem CID 113277018) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol
PubChem CID113277018
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol
SMILESCC1CCCC(CN)N1Cc1c(O)cccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-4-2-5-11(8-16)17(10)9-12-13(15)6-3-7-14(12)18/h3,6-7,10-11,18H,2,4-5,8-9,16H2,1H3
InChIKeyFTRLOSHFDMYBSO-UHFFFAOYSA-N
XLogP2.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol?
The IUPAC name of 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol (CID 113277018) is 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol.
What is the SMILES notation for 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol?
The canonical SMILES for 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol is CC1CCCC(CN)N1Cc1c(O)cccc1Cl.
What is the InChIKey of 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol?
The InChIKey is FTRLOSHFDMYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-4-2-5-11(8-16)17(10)9-12-13(15)6-3-7-14(12)18/h3,6-7,10-11,18H,2,4-5,8-9,16H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol?
2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol has a molecular weight of 268.79 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol is sourced from PubChem (CID 113277018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).