2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine

C18H24N2 — CID 115209720

IUPAC2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCCNC3)cccc2c1
InChIInChI=1S/C18H24N2/c1-2-9-18-16(6-1)7-3-8-17(18)10-12-20-14-15-5-4-11-19-13-15/h1-3,6-9,15,19-20H,4-5,10-14H2
InChIKeyYKTQHDCYXCZYIP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.97
Rot. Bonds5

About 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine

2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 115209720) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID115209720
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCCNC3)cccc2c1
InChIInChI=1S/C18H24N2/c1-2-9-18-16(6-1)7-3-8-17(18)10-12-20-14-15-5-4-11-19-13-15/h1-3,6-9,15,19-20H,4-5,10-14H2
InChIKeyYKTQHDCYXCZYIP-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
CID 115214333
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
3-(2-naphthalen-1-ylethyl)pyrrolidine
CID 116925512
N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
CID 115211436
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495
2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555516
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
5-(piperidin-3-ylmethylamino)naphthalen-1-ol
CID 80554062
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol
CID 177057254

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine (CID 115209720) is 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine is c1ccc2c(CCNCC3CCCNC3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is YKTQHDCYXCZYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-9-18-16(6-1)7-3-8-17(18)10-12-20-14-15-5-4-11-19-13-15/h1-3,6-9,15,19-20H,4-5,10-14H2.
What are the key properties of 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine?
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 268.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115209720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).