[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone

C17H19BrN2O — CID 115354200

IUPAC[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
SMILESNCC1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C17H19BrN2O/c18-16-6-5-13-8-15(4-3-14(13)9-16)17(21)20-7-1-2-12(10-19)11-20/h3-6,8-9,12H,1-2,7,10-11,19H2
InChIKeyYBYDCGKHQVCFSF-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.41
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone

[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone (PubChem CID 115354200) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
PubChem CID115354200
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
SMILESNCC1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C17H19BrN2O/c18-16-6-5-13-8-15(4-3-14(13)9-16)17(21)20-7-1-2-12(10-19)11-20/h3-6,8-9,12H,1-2,7,10-11,19H2
InChIKeyYBYDCGKHQVCFSF-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120689631
[3-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80661392
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone (CID 115354200) is [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone is NCC1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone?
The InChIKey is YBYDCGKHQVCFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-16-6-5-13-8-15(4-3-14(13)9-16)17(21)20-7-1-2-12(10-19)11-20/h3-6,8-9,12H,1-2,7,10-11,19H2.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone has a molecular weight of 347.26 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone is sourced from PubChem (CID 115354200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).