N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine

C18H24N2 — CID 115211649

IUPACN-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine
SMILESc1ccc2c(CNCCC3CCNCC3)cccc2c1
InChIInChI=1S/C18H24N2/c1-2-7-18-16(4-1)5-3-6-17(18)14-20-13-10-15-8-11-19-12-9-15/h1-7,15,19-20H,8-14H2
InChIKeyMWNMYBITXSGHLB-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.32
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine

N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine (PubChem CID 115211649) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine
PubChem CID115211649
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine
SMILESc1ccc2c(CNCCC3CCNCC3)cccc2c1
InChIInChI=1S/C18H24N2/c1-2-7-18-16(4-1)5-3-6-17(18)14-20-13-10-15-8-11-19-12-9-15/h1-7,15,19-20H,8-14H2
InChIKeyMWNMYBITXSGHLB-UHFFFAOYSA-N
XLogP3.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668
3-(2-naphthalen-1-ylethyl)pyrrolidine
CID 116925512
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
N'-(naphthalen-1-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine;hydrochloride
CID 45263554
2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
CID 103748737
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine (CID 115211649) is N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine is c1ccc2c(CNCCC3CCNCC3)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine?
The InChIKey is MWNMYBITXSGHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-7-18-16(4-1)5-3-6-17(18)14-20-13-10-15-8-11-19-12-9-15/h1-7,15,19-20H,8-14H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine?
N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine is sourced from PubChem (CID 115211649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).