N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride

C11H16Cl2N2O — CID 86634616

IUPACN-(2-chlorophenoxy)piperidin-4-amine;hydrochloride
SMILESCl.Clc1ccccc1ONC1CCNCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-3-1-2-4-11(10)15-14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H
InChIKeyHVRZFWSRCMXDGO-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.40
Rot. Bonds3

About N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride

N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride (PubChem CID 86634616) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenoxy)piperidin-4-amine;hydrochloride
PubChem CID86634616
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN-(2-chlorophenoxy)piperidin-4-amine;hydrochloride
SMILESCl.Clc1ccccc1ONC1CCNCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-3-1-2-4-11(10)15-14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H
InChIKeyHVRZFWSRCMXDGO-UHFFFAOYSA-N
XLogP2.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride (CID 86634616) is N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride is Cl.Clc1ccccc1ONC1CCNCC1.
What is the InChIKey of N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride?
The InChIKey is HVRZFWSRCMXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c12-10-3-1-2-4-11(10)15-14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H.
What are the key properties of N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride?
N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenoxy)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 86634616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).