1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine

C19H29N — CID 10707276

IUPAC1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
SMILESc1ccc2c(c1)CCCC2CCCCN1CCCCC1
InChIInChI=1S/C19H29N/c1-5-14-20(15-6-1)16-7-4-10-18-12-8-11-17-9-2-3-13-19(17)18/h2-3,9,13,18H,1,4-8,10-12,14-16H2
InChIKeyNIAFRKMTDVYMFZ-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine

1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine (PubChem CID 10707276) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
PubChem CID10707276
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine
SMILESc1ccc2c(c1)CCCC2CCCCN1CCCCC1
InChIInChI=1S/C19H29N/c1-5-14-20(15-6-1)16-7-4-10-18-12-8-11-17-9-2-3-13-19(17)18/h2-3,9,13,18H,1,4-8,10-12,14-16H2
InChIKeyNIAFRKMTDVYMFZ-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.76
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-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The IUPAC name of 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine (CID 10707276) is 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine.
What is the SMILES notation for 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The canonical SMILES for 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine is c1ccc2c(c1)CCCC2CCCCN1CCCCC1.
What is the InChIKey of 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
The InChIKey is NIAFRKMTDVYMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-5-14-20(15-6-1)16-7-4-10-18-12-8-11-17-9-2-3-13-19(17)18/h2-3,9,13,18H,1,4-8,10-12,14-16H2.
What are the key properties of 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine?
1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine has a molecular weight of 271.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)butyl]piperidine is sourced from PubChem (CID 10707276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).