1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine

C20H31N — CID 11778704

IUPAC1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine
SMILESCC1(C)CCCN(CCCCC2CCc3ccccc32)C1
InChIInChI=1S/C20H31N/c1-20(2)13-7-15-21(16-20)14-6-5-9-18-12-11-17-8-3-4-10-19(17)18/h3-4,8,10,18H,5-7,9,11-16H2,1-2H3
InChIKeyMLNMFEKDRXPQAD-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.01
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine

1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine (PubChem CID 11778704) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine
PubChem CID11778704
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine
SMILESCC1(C)CCCN(CCCCC2CCc3ccccc32)C1
InChIInChI=1S/C20H31N/c1-20(2)13-7-15-21(16-20)14-6-5-9-18-12-11-17-8-3-4-10-19(17)18/h3-4,8,10,18H,5-7,9,11-16H2,1-2H3
InChIKeyMLNMFEKDRXPQAD-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.01
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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Related Compounds

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CID 202330
2-(1-benzyl-1H-inden-3-yl)-N,N-dimethylethanamine
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3,3-Dimethyl-1-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperidine
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1-[3-(3H-Inden-1-yl)-propyl]-3,3-dimethyl-piperidine
CID 10686061
3,3-Dimethyl-1-[5-(1,2,3,4-tetrahydro-naphthalen-1-yl)-pentyl]-piperidine
CID 10760278
4-Methyl-1-(5-phenyl-pentyl)-piperidine
CID 9992101
1-(5,5-Diphenyl-pentyl)-4-methyl-piperidine
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1''-butyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-piperidine]; HCl
CID 15163141
Isophenindamine
CID 162910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine (CID 11778704) is 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine is CC1(C)CCCN(CCCCC2CCc3ccccc32)C1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine?
The InChIKey is MLNMFEKDRXPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-20(2)13-7-15-21(16-20)14-6-5-9-18-12-11-17-8-3-4-10-19(17)18/h3-4,8,10,18H,5-7,9,11-16H2,1-2H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine?
1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine has a molecular weight of 285.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine is sourced from PubChem (CID 11778704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).