1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine

C19H27N — CID 10730713

IUPAC1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine
SMILESC1=C(CCCCN2CCCCC2)c2ccccc2CC1
InChIInChI=1S/C19H27N/c1-5-14-20(15-6-1)16-7-4-10-18-12-8-11-17-9-2-3-13-19(17)18/h2-3,9,12-13H,1,4-8,10-11,14-16H2
InChIKeyQZTMXDNNFGQPIL-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.67
Rot. Bonds5

About 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine

1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine (PubChem CID 10730713) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine
PubChem CID10730713
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine
SMILESC1=C(CCCCN2CCCCC2)c2ccccc2CC1
InChIInChI=1S/C19H27N/c1-5-14-20(15-6-1)16-7-4-10-18-12-8-11-17-9-2-3-13-19(17)18/h2-3,9,12-13H,1,4-8,10-11,14-16H2
InChIKeyQZTMXDNNFGQPIL-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine?
The IUPAC name of 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine (CID 10730713) is 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine.
What is the SMILES notation for 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine?
The canonical SMILES for 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine is C1=C(CCCCN2CCCCC2)c2ccccc2CC1.
What is the InChIKey of 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine?
The InChIKey is QZTMXDNNFGQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-5-14-20(15-6-1)16-7-4-10-18-12-8-11-17-9-2-3-13-19(17)18/h2-3,9,12-13H,1,4-8,10-11,14-16H2.
What are the key properties of 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine?
1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine has a molecular weight of 269.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydronaphthalen-1-yl)butyl]piperidine is sourced from PubChem (CID 10730713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).