2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine

C17H25N — CID 117360963

IUPAC2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
SMILESc1cc2c(cc1CC1CCCCN1)CCCCC2
InChIInChI=1S/C17H25N/c1-2-6-15-10-9-14(12-16(15)7-3-1)13-17-8-4-5-11-18-17/h9-10,12,17-18H,1-8,11,13H2
InChIKeyQVWBPWPVDJBWCO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.64
Rot. Bonds2

About 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine

2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine (PubChem CID 117360963) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
PubChem CID117360963
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
SMILESc1cc2c(cc1CC1CCCCN1)CCCCC2
InChIInChI=1S/C17H25N/c1-2-6-15-10-9-14(12-16(15)7-3-1)13-17-8-4-5-11-18-17/h9-10,12,17-18H,1-8,11,13H2
InChIKeyQVWBPWPVDJBWCO-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine
CID 117372167
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
CID 82500114
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
CID 106779340
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117371669

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine?
The IUPAC name of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine (CID 117360963) is 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine.
What is the SMILES notation for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine?
The canonical SMILES for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine is c1cc2c(cc1CC1CCCCN1)CCCCC2.
What is the InChIKey of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine?
The InChIKey is QVWBPWPVDJBWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-6-15-10-9-14(12-16(15)7-3-1)13-17-8-4-5-11-18-17/h9-10,12,17-18H,1-8,11,13H2.
What are the key properties of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine?
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine has a molecular weight of 243.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine is sourced from PubChem (CID 117360963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).