1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine

C18H28N2 — CID 2846351

IUPAC1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
SMILESCCCN1CCC(NC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H28N2/c1-2-12-20-13-10-16(11-14-20)19-18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,16,18-19H,2,5,7,9-14H2,1H3
InChIKeySCPUJCPRKAHUIL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds4

About 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine

1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine (PubChem CID 2846351) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
PubChem CID2846351
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
SMILESCCCN1CCC(NC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H28N2/c1-2-12-20-13-10-16(11-14-20)19-18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,16,18-19H,2,5,7,9-14H2,1H3
InChIKeySCPUJCPRKAHUIL-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine?
The IUPAC name of 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine (CID 2846351) is 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine?
The canonical SMILES for 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine is CCCN1CCC(NC2CCCc3ccccc32)CC1.
What is the InChIKey of 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine?
The InChIKey is SCPUJCPRKAHUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-12-20-13-10-16(11-14-20)19-18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,16,18-19H,2,5,7,9-14H2,1H3.
What are the key properties of 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine?
1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine is sourced from PubChem (CID 2846351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).