N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine

C18H24N2 — CID 43307464

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine
SMILESCC(Nc1cccc2ccccc12)C1CCN(C)CC1
InChIInChI=1S/C18H24N2/c1-14(15-10-12-20(2)13-11-15)19-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,14-15,19H,10-13H2,1-2H3
InChIKeyTZEZTIXZQOOHAM-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.98
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine

N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine (PubChem CID 43307464) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine
PubChem CID43307464
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine
SMILESCC(Nc1cccc2ccccc12)C1CCN(C)CC1
InChIInChI=1S/C18H24N2/c1-14(15-10-12-20(2)13-11-15)19-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,14-15,19H,10-13H2,1-2H3
InChIKeyTZEZTIXZQOOHAM-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine (CID 43307464) is N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine is CC(Nc1cccc2ccccc12)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine?
The InChIKey is TZEZTIXZQOOHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(15-10-12-20(2)13-11-15)19-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,14-15,19H,10-13H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine?
N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine has a molecular weight of 268.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine is sourced from PubChem (CID 43307464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).