[2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine

C14H21ClN2O — CID 163390306

IUPAC[2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine
SMILESCN1CCC(OCc2ccc(CN)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,9-10,16H2,1H3
InChIKeyOYGZEIKGSCDOJJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.41
Rot. Bonds4

About [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine

[2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine (PubChem CID 163390306) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine
PubChem CID163390306
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine
SMILESCN1CCC(OCc2ccc(CN)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,9-10,16H2,1H3
InChIKeyOYGZEIKGSCDOJJ-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine (CID 163390306) is [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine is CN1CCC(OCc2ccc(CN)c(Cl)c2)CC1.
What is the InChIKey of [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
The InChIKey is OYGZEIKGSCDOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,9-10,16H2,1H3.
What are the key properties of [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
[2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 163390306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).