3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride

C19H27ClN2O — CID 120775156

IUPAC3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(CCOc2ccc3ccccc3c2)CCC1N.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-19(2)14-21(10-9-18(19)20)11-12-22-17-8-7-15-5-3-4-6-16(15)13-17;/h3-8,13,18H,9-12,14,20H2,1-2H3;1H
InChIKeyZWORYSKTNUXFEA-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.70
Rot. Bonds4

About 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride

3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride (PubChem CID 120775156) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride
PubChem CID120775156
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(CCOc2ccc3ccccc3c2)CCC1N.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-19(2)14-21(10-9-18(19)20)11-12-22-17-8-7-15-5-3-4-6-16(15)13-17;/h3-8,13,18H,9-12,14,20H2,1-2H3;1H
InChIKeyZWORYSKTNUXFEA-UHFFFAOYSA-N
XLogP3.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride (CID 120775156) is 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride is CC1(C)CN(CCOc2ccc3ccccc3c2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride?
The InChIKey is ZWORYSKTNUXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c1-19(2)14-21(10-9-18(19)20)11-12-22-17-8-7-15-5-3-4-6-16(15)13-17;/h3-8,13,18H,9-12,14,20H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120775156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).