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

C12H19ClN2O — CID 90237422

IUPACN-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
SMILESCOc1ccccc1NC1CCNCC1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-15-12-5-3-2-4-11(12)14-10-6-8-13-9-7-10;/h2-5,10,13-14H,6-9H2,1H3;1H
InChIKeyHNQYBLPDSUBICC-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.28
Rot. Bonds3

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

N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride (PubChem CID 90237422) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
PubChem CID90237422
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
SMILESCOc1ccccc1NC1CCNCC1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-15-12-5-3-2-4-11(12)14-10-6-8-13-9-7-10;/h2-5,10,13-14H,6-9H2,1H3;1H
InChIKeyHNQYBLPDSUBICC-UHFFFAOYSA-N
XLogP2.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride (CID 90237422) is N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride is COc1ccccc1NC1CCNCC1.Cl.
What is the InChIKey of N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride?
The InChIKey is HNQYBLPDSUBICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-15-12-5-3-2-4-11(12)14-10-6-8-13-9-7-10;/h2-5,10,13-14H,6-9H2,1H3;1H.
What are the key properties of N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride?
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 90237422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).