1-[(3-methylazulen-1-yl)methyl]piperidine

C17H21N — CID 101178026

IUPAC1-[(3-methylazulen-1-yl)methyl]piperidine
SMILESCc1cc(CN2CCCCC2)c2cccccc1-2
InChIInChI=1S/C17H21N/c1-14-12-15(13-18-10-6-3-7-11-18)17-9-5-2-4-8-16(14)17/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyQPWFFSYTYLRVRP-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.09
Rot. Bonds2

About 1-[(3-methylazulen-1-yl)methyl]piperidine

1-[(3-methylazulen-1-yl)methyl]piperidine (PubChem CID 101178026) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(3-methylazulen-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-methylazulen-1-yl)methyl]piperidine
PubChem CID101178026
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-[(3-methylazulen-1-yl)methyl]piperidine
SMILESCc1cc(CN2CCCCC2)c2cccccc1-2
InChIInChI=1S/C17H21N/c1-14-12-15(13-18-10-6-3-7-11-18)17-9-5-2-4-8-16(14)17/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyQPWFFSYTYLRVRP-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(2-chlorophenyl)methyl]azepane
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[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
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2-[(E)-2-[5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-6-phenylbenzonitrile
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1-benzylpyrrolidine;propane
CID 143692089
3-methyl-4-(piperidin-1-ylmethyl)benzonitrile
CID 114480957
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
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(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylazulen-1-yl)methyl]piperidine?
The IUPAC name of 1-[(3-methylazulen-1-yl)methyl]piperidine (CID 101178026) is 1-[(3-methylazulen-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(3-methylazulen-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(3-methylazulen-1-yl)methyl]piperidine is Cc1cc(CN2CCCCC2)c2cccccc1-2.
What is the InChIKey of 1-[(3-methylazulen-1-yl)methyl]piperidine?
The InChIKey is QPWFFSYTYLRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-12-15(13-18-10-6-3-7-11-18)17-9-5-2-4-8-16(14)17/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3.
What are the key properties of 1-[(3-methylazulen-1-yl)methyl]piperidine?
1-[(3-methylazulen-1-yl)methyl]piperidine has a molecular weight of 239.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylazulen-1-yl)methyl]piperidine is sourced from PubChem (CID 101178026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).