2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine

C18H28N2 — CID 43830913

IUPAC2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCC1(N)c2ccccc2CCC1N1CCCCC1
InChIInChI=1S/C18H28N2/c1-2-12-18(19)16-9-5-4-8-15(16)10-11-17(18)20-13-6-3-7-14-20/h4-5,8-9,17H,2-3,6-7,10-14,19H2,1H3
InChIKeyCOSXJVQCGFDEHQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.44
Rot. Bonds3

About 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine

2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43830913) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43830913
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCC1(N)c2ccccc2CCC1N1CCCCC1
InChIInChI=1S/C18H28N2/c1-2-12-18(19)16-9-5-4-8-15(16)10-11-17(18)20-13-6-3-7-14-20/h4-5,8-9,17H,2-3,6-7,10-14,19H2,1H3
InChIKeyCOSXJVQCGFDEHQ-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine (CID 43830913) is 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine is CCCC1(N)c2ccccc2CCC1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is COSXJVQCGFDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-12-18(19)16-9-5-4-8-15(16)10-11-17(18)20-13-6-3-7-14-20/h4-5,8-9,17H,2-3,6-7,10-14,19H2,1H3.
What are the key properties of 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine?
2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43830913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).