N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine

C20H28N2 — CID 119927809

IUPACN-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H28N2/c1-3-21-15-17-10-12-22(13-11-17)16(2)19-9-8-18-6-4-5-7-20(18)14-19/h4-9,14,16-17,21H,3,10-13,15H2,1-2H3
InChIKeyZTSOSAUXIQZJLU-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.22
Rot. Bonds5

About N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 119927809) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID119927809
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H28N2/c1-3-21-15-17-10-12-22(13-11-17)16(2)19-9-8-18-6-4-5-7-20(18)14-19/h4-9,14,16-17,21H,3,10-13,15H2,1-2H3
InChIKeyZTSOSAUXIQZJLU-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide
CID 95307376
N-[[1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550986
N-cyclopropyl-1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4-carboxamide
CID 94651891

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine (CID 119927809) is N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C(C)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZTSOSAUXIQZJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-3-21-15-17-10-12-22(13-11-17)16(2)19-9-8-18-6-4-5-7-20(18)14-19/h4-9,14,16-17,21H,3,10-13,15H2,1-2H3.
What are the key properties of N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 296.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 119927809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).